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115747-07-4 | 3-Cyclohexene-1-carboxylic acid, 6-cyano-
CAS No: 115747-07-4 Catalog No: AG000GTC MDL No:MFCD18817910
Product Description
Catalog Number:
AG000GTC
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-cyano-
CAS Number:
115747-07-4
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18817910
IUPAC Name:
6-cyanocyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-2,6-7H,3-4H2,(H,10,11)
InChI Key:
QPLNREJCVIVPFE-UHFFFAOYSA-N
SMILES:
N#CC1CC=CCC1C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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