Cas no 5432-93-9 (Benzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester)
5432-93-9 structure
Product Name:Benzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester
CAS No:5432-93-9
MF:C16H14O5
MW:286.279365062714
CID:377365
PubChem ID:229890
Update Time:2025-04-19
Benzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester
- 1,3-benzodioxol-5-ylmethyl 4-methoxybenzoate
- benzo[1,3]dioxol-5-ylmethyl 4-methoxybenzoate
- 4-Methoxy-benzoesaeure-piperonylester
- 4-methoxy-benzoic acid piperonyl ester
- AC1L5IBA
- AC1Q65Z2
- AR-1B6495
- CTK5A0511
- KST-1B6479
- NSC23953
- 5432-93-9
- DTXSID60282047
- NSC-23953
- AKOS008351362
-
- Inchi： 1S/C16H14O5/c1-18-13-5-3-12(4-6-13)16(17)19-9-11-2-7-14-15(8-11)21-10-20-14/h2-8H,9-10H2,1H3
- InChI Key： NXXZETZRHIFIPW-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(COC(C3C=CC(=CC=3)OC)=O)=CC1=2
Computed Properties
- Exact Mass: 286.08412
- Monoisotopic Mass: 286.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 351
- 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: 3.3
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 53.99
- LogP: 2.78090
Benzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
5432-93-9 (Benzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester) Related Products
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