Home Carboxys 2-Methyl-indan-2-carboxylic acid

2-Methyl-indan-2-carboxylic acid

CAS No.:
91142-58-4
Catalog Number:
AG00H31G
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG00H31G
Chemical Name:
2-Methyl-indan-2-carboxylic acid
CAS Number:
91142-58-4
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
2-methyl-1,3-dihydroindene-2-carboxylic acid
InChI:
InChI=1S/C11H12O2/c1-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChI Key:
VWCCBMWZNOWFDT-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)Cc2c(C1)cccc2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties