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100828-24-8 | 1-Piperazineacetic acid, 3-carboxy-
CAS No: 100828-24-8 Catalog No: AG0002Z8 MDL No:
Product Description
Catalog Number:
AG0002Z8
Chemical Name:
1-Piperazineacetic acid, 3-carboxy-
CAS Number:
100828-24-8
Molecular Formula:
C7H12N2O4
Molecular Weight:
188.1812
IUPAC Name:
4-(carboxymethyl)piperazine-2-carboxylic acid
InChI:
InChI=1S/C7H12N2O4/c10-6(11)4-9-2-1-8-5(3-9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13)
InChI Key:
MJNNLNHBBKKFFN-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCNC(C1)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.183g/mol
Monoisotopic Mass:
188.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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