Home Carboxys 2-[(3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid hydrochloride

2-[(3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid hydrochloride

CAS No.:
1258651-86-3
Catalog Number:
AG01AASU
Molecular Formula:
C10H13ClN2O4
Molecular Weight:
260.6742
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Product Description
Catalog Number:
AG01AASU
Chemical Name:
2-[(3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid hydrochloride
CAS Number:
1258651-86-3
Molecular Formula:
C10H13ClN2O4
Molecular Weight:
260.6742
MDL Number:
MFCD17480417
IUPAC Name:
2-[(3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H12N2O4.ClH/c13-9-6-12(3-2-11-9)5-8-7(10(14)15)1-4-16-8;/h1,4H,2-3,5-6H2,(H,11,13)(H,14,15);1H
InChI Key:
PKODAZYIWPNGTR-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)Cc1occc1C(=O)O.Cl
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
260.674g/mol
Monoisotopic Mass:
260.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties