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189125-29-9 | 3-Cyclohexene-1-carboxylic acid, 6-amino-, (1R,6S)-
CAS No: 189125-29-9 Catalog No: AG002HWO MDL No:
Product Description
Catalog Number:
AG002HWO
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-amino-, (1R,6S)-
CAS Number:
189125-29-9
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChI Key:
CQINMZNDBYQHKR-RITPCOANSA-N
SMILES:
N[C@H]1CC=CC[C@H]1C(=O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Novel antifungal beta-amino acids: synthesis and activity against Candida albicans. | Bioorganic & medicinal chemistry letters 20030210 |
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