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667462-09-1 | 2-(1-Piperazinyl)acetic acid monohydrate
CAS No: 667462-09-1 Catalog No: AG003EPO MDL No:MFCD03410261
Product Description
Catalog Number:
AG003EPO
Chemical Name:
2-(1-Piperazinyl)acetic acid monohydrate
CAS Number:
667462-09-1
Molecular Formula:
C6H14N2O3
Molecular Weight:
162.1870
MDL Number:
MFCD03410261
IUPAC Name:
2-piperazin-1-ylacetic acid;hydrate
InChI:
InChI=1S/C6H12N2O2.H2O/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H2
InChI Key:
XQZJPHXZNNGXHO-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCNCC1.O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.189g/mol
Monoisotopic Mass:
162.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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