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114019-11-3 | 4,7-Methano-1H-indene-2-carboxylic acid, 2,3-dihydro-
CAS No: 114019-11-3 Catalog No: AG000ABC MDL No:
Product Description
Catalog Number:
AG000ABC
Chemical Name:
4,7-Methano-1H-indene-2-carboxylic acid, 2,3-dihydro-
CAS Number:
114019-11-3
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
tricyclo[5.2.1.02,6]deca-1,6,8-triene-4-carboxylic acid
InChI:
InChI=1S/C11H10O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,8H,3-5H2,(H,12,13)
InChI Key:
HSYZOHQRFMWTSY-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(C1)c1Cc2cc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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