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130931-84-9 | 2-Cyclopentene-1-carboxylic acid, 4-amino-, hydrochloride (1:1), (1S,4R)-
CAS No: 130931-84-9 Catalog No: AG000V54 MDL No:MFCD11504996
Product Description
Catalog Number:
AG000V54
Chemical Name:
2-Cyclopentene-1-carboxylic acid, 4-amino-, hydrochloride (1:1), (1S,4R)-
CAS Number:
130931-84-9
Molecular Formula:
C6H10ClNO2
Molecular Weight:
163.6021
MDL Number:
MFCD11504996
IUPAC Name:
(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m1./s1
InChI Key:
JYDJHYGBXSCMJL-JBUOLDKXSA-N
SMILES:
N[C@@H]1C[C@@H](C=C1)C(=O)O.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
163.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.601g/mol
Monoisotopic Mass:
163.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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