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131897-38-6 | 3-Cyclohexene-1-carboxylic acid, 2-amino-
CAS No: 131897-38-6 Catalog No: AG000ZW2 MDL No:MFCD18817905
Product Description
Catalog Number:
AG000ZW2
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 2-amino-
CAS Number:
131897-38-6
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD18817905
IUPAC Name:
2-aminocyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h2,4-6H,1,3,8H2,(H,9,10)
InChI Key:
CIXNUOPCFXQTTK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC=CC1N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
| Title | Journal |
|---|---|
| Inactivation and inhibition of gamma-aminobutyric acid aminotransferase by conformationally restricted vigabatrin analogues. | Journal of medicinal chemistry 20020926 |
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