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100910-67-6 | 1,3-Cyclopentanedicarboxylic acid, 1-amino-
CAS No: 100910-67-6 Catalog No: AG000365 MDL No:
Product Description
Catalog Number:
AG000365
Chemical Name:
1,3-Cyclopentanedicarboxylic acid, 1-amino-
CAS Number:
100910-67-6
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
1-aminocyclopentane-1,3-dicarboxylic acid
InChI:
InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)
InChI Key:
YFYNOWXBIBKGHB-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(C1)(N)C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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