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122022-98-4 | 3-Cyclopentene-1-carboxylic acid, 2-amino-
CAS No: 122022-98-4 Catalog No: AG0016N9 MDL No:
Product Description
Catalog Number:
AG0016N9
Chemical Name:
3-Cyclopentene-1-carboxylic acid, 2-amino-
CAS Number:
122022-98-4
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
2-aminocyclopent-3-ene-1-carboxylic acid
InChI:
InChI=1S/C6H9NO2/c7-5-3-1-2-4(5)6(8)9/h1,3-5H,2,7H2,(H,8,9)
InChI Key:
NLCBWTXCWRLPIR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC=CC1N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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