Cas no 5025-54-7 (6-methyl-1,3-dioxaindane-5-carboxylic acid)
6-Methyl-1,3-dioxaindane-5-carboxylic acid is a heterocyclic carboxylic acid featuring a fused dioxaindane core. This compound is of interest in synthetic organic chemistry due to its rigid bicyclic structure and functional versatility. The presence of the carboxylic acid group allows for further derivatization, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its methyl substitution enhances stability while retaining reactivity at the carboxyl position. The dioxaindane scaffold also contributes to unique steric and electronic properties, which can influence binding affinity in bioactive molecules. This compound is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results in downstream applications.
5025-54-7 structure
Product Name:6-methyl-1,3-dioxaindane-5-carboxylic acid
CAS No:5025-54-7
MF:C9H8O4
MW:180.157423019409
MDL:MFCD00157046
CID:1089937
PubChem ID:2752031
Update Time:2025-06-07
6-methyl-1,3-dioxaindane-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-Methylbenzo[d][1,3]dioxole-5-carboxylic acid
- 6-methyl-1,3-benzodioxole-5-carboxylic acid
- 6-methyl-1,3-dioxaindane-5-carboxylic acid
- 6-Methylbenzo[d][1,3]dioxole-5-carboxylicacid
- SCHEMBL711100
- GHJXEUAYEHDQSZ-UHFFFAOYSA-N
- Z1262521670
- CS-0215526
- EN300-25693250
- 5025-54-7
- DTXSID90372869
- AKOS004907070
- C15873
-
- MDL： MFCD00157046
- Inchi： 1S/C9H8O4/c1-5-2-7-8(13-4-12-7)3-6(5)9(10)11/h2-3H,4H2,1H3,(H,10,11)
- InChI Key： GHJXEUAYEHDQSZ-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C(=O)O)C(C)=CC1=2
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
6-methyl-1,3-dioxaindane-5-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM153198-1g |
6-methylbenzo[d][1,3]dioxole-5-carboxylic acid |
5025-54-7 | 97% | 1g |
$720 | 2021-06-09 | |
| Alichem | A159001778-1g |
6-Methylbenzo[d][1,3]dioxole-5-carboxylic acid |
5025-54-7 | 97% | 1g |
$644.80 | 2023-09-01 | |
| Chemenu | CM153198-1g |
6-methylbenzo[d][1,3]dioxole-5-carboxylic acid |
5025-54-7 | 97% | 1g |
$687 | 2024-07-16 | |
| Enamine | EN300-25693250-1g |
6-methyl-1,3-dioxaindane-5-carboxylic acid |
5025-54-7 | 95% | 1g |
$817.0 | 2023-09-14 | |
| Enamine | EN300-25693250-5g |
6-methyl-1,3-dioxaindane-5-carboxylic acid |
5025-54-7 | 95% | 5g |
$3390.0 | 2023-09-14 | |
| Enamine | EN300-25693250-10g |
6-methyl-1,3-dioxaindane-5-carboxylic acid |
5025-54-7 | 95% | 10g |
$6617.0 | 2023-09-14 | |
| eNovation Chemicals LLC | D515412-1g |
6-methyl-1,3-benzodioxole-5-carboxylic acid |
5025-54-7 | 95% | 1g |
$860 | 2024-08-03 | |
| Enamine | EN300-25693250-0.05g |
6-methyl-1,3-dioxaindane-5-carboxylic acid |
5025-54-7 | 95% | 0.05g |
$190.0 | 2024-06-18 | |
| Enamine | EN300-25693250-0.1g |
6-methyl-1,3-dioxaindane-5-carboxylic acid |
5025-54-7 | 95% | 0.1g |
$283.0 | 2024-06-18 | |
| Enamine | EN300-25693250-0.25g |
6-methyl-1,3-dioxaindane-5-carboxylic acid |
5025-54-7 | 95% | 0.25g |
$404.0 | 2024-06-18 |
6-methyl-1,3-dioxaindane-5-carboxylic acid Related Literature
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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