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77635-16-6 | 1H-Indene-4-carboxylic acid
CAS No: 77635-16-6 Catalog No: AG005GLS MDL No:MFCD18808943
Product Description
Catalog Number:
AG005GLS
Chemical Name:
1H-Indene-4-carboxylic acid
CAS Number:
77635-16-6
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD18808943
IUPAC Name:
1H-indene-4-carboxylic acid
InChI:
InChI=1S/C10H8O2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h1-2,4-6H,3H2,(H,11,12)
InChI Key:
CBEZVXFKCOJOKV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1C=CC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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