Cas no 7316-64-5 (1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester)
7316-64-5 structure
Product Name:1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester
CAS No:7316-64-5
MF:C12H12O2
MW:188.222483634949
CID:542928
PubChem ID:2753057
Update Time:2025-04-19
1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester
- methyl 3-methyl-1H-indene-2-carboxylate
- 3-methyl-1H-indene-2-carboxylic acid methyl ester
- DTXSID60372957
- SCHEMBL20444060
- MFCD01846160
- F97908
- 7316-64-5
- AKOS004907848
-
- Inchi: 1S/C12H12O2/c1-8-10-6-4-3-5-9(10)7-11(8)12(13)14-2/h3-6H,7H2,1-2H3
- InChI Key: VAFIJZGHDGTWFN-UHFFFAOYSA-N
- SMILES: O(C)C(C1=C(C)C2C=CC=CC=2C1)=O
Computed Properties
- Exact Mass: 188.08376
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 278
- 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: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
7316-64-5 (1H-Indene-2-carboxylic acid, 3-methyl-, methyl ester) Related Products
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