Cas no 17332-04-6 (1H-Indene-2-carboxylic acid, methyl ester)
17332-04-6 structure
Product Name:1H-Indene-2-carboxylic acid, methyl ester
CAS No:17332-04-6
MF:C11H10O2
MW:174.195903301239
CID:1362026
PubChem ID:10103644
Update Time:2025-04-20
1H-Indene-2-carboxylic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-2-carboxylic acid, methyl ester
- methyl 1H-indene-2-carboxylate
- 17332-04-6
- DTXSID80435593
- SCHEMBL5600204
-
- Inchi： 1S/C11H10O2/c1-13-11(12)10-6-8-4-2-3-5-9(8)7-10/h2-6H,7H2,1H3
- InChI Key： PKYVDUBWMRQMPC-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC2C=CC=CC=2C1)=O
Computed Properties
- Exact Mass: 174.068079557g/mol
- Monoisotopic Mass: 174.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 243
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
1H-Indene-2-carboxylic acid, methyl ester Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
17332-04-6 (1H-Indene-2-carboxylic acid, methyl ester) Related Products
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