Cas no 39503-14-5 (Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester)
39503-14-5 structure
Product Name:Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester
CAS No:39503-14-5
MF:C11H12O5
MW:224.209983825684
CID:291864
PubChem ID:3940691
Update Time:2025-04-19
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester
- ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
- SPECTRUM205071
- DTXSID60398112
- 39503-14-5
- Ethyl hematommate
- Spectrum3_000886
- DivK1c_006160
- KBio1_001104
- SCHEMBL12998324
- Ethyl haematommate
- Hematommic acid ethyl ester
- Haematommic acid ethyl ester
- CHEMBL493032
- HUXJGSHUVDWZAM-UHFFFAOYSA-N
- SpecPlus_000064
- NCGC00095517-01
- CCG-38544
- ethyl 2,4-dihydroxy-3-formyl-6-methylbenzoate
- Spectrum5_001812
- HAEMATOMMIC ACID, ETHYL ESTER
- SR-05000002469-1
- KBioGR_001355
- SPBio_000598
- Spectrum2_000629
- Ethyl 3-formyl-6-methyl-2,4-dihydroxy-benzoate
- SR-05000002469
- KBio3_001772
- Spectrum4_000978
- SDCCGMLS-0066940.P001
- ethyl3-formyl-2,4-dihydroxy-6-methylbenzoate
-
- Inchi： 1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
- InChI Key： HUXJGSHUVDWZAM-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(=C(C=O)C(=CC=1C)O)O)=O
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 265
- 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: 2.4
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
39503-14-5 (Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester) Related Products
- 2524-37-0(ethyl 2,4-dihydroxy-6-methyl-benzoate)
- 33528-09-5(Methyl 2-hydroxy-6-methylbenzoate)
- 3943-91-7(Ethyl 2, 5-Dihydroxybenzoate)
- 4670-17-1(1,3-Isobenzofurandione,4,6-dimethoxy-)
- 28281-58-5(7-methoxy-1(3H)-Isobenzofuranone)
- 6520-83-8(Ethyl 2-methoxy-6-methylbenzoate)
- 6555-40-4(Ethyl 2-hydroxy-6-methylbenzoate)
- 3187-58-4(Methyl 2,4-dihydroxy-6-methylbenzoate)
- 37418-88-5(3-Hydroxyphthalic anhydride)
- 4143-00-4(Ethyl 2,4-dihydroxybenzoate)
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