Home Carboxys 1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid

1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid

CAS No.:
33223-78-8
Catalog Number:
AG01AF32
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01AF32
Chemical Name:
1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
33223-78-8
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD21198124
IUPAC Name:
1-methyl-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C11H12O2/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChI Key:
IJYVZCGPRUQYPX-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCc2c1cccc2
Properties
Complexity:
224  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties