Home Aminos 3-{[hydroxy(3-oxo-2,3-dihydropyridin-2-ylidene)methyl]amino}propanoic acid hydrochloride

3-{[hydroxy(3-oxo-2,3-dihydropyridin-2-ylidene)methyl]amino}propanoic acid hydrochloride

CAS No.:
1281690-83-2
Catalog Number:
AG01AHGI
Molecular Formula:
C9H11ClN2O4
Molecular Weight:
246.6476
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Product Description
Catalog Number:
AG01AHGI
Chemical Name:
3-{[hydroxy(3-oxo-2,3-dihydropyridin-2-ylidene)methyl]amino}propanoic acid hydrochloride
CAS Number:
1281690-83-2
Molecular Formula:
C9H11ClN2O4
Molecular Weight:
246.6476
MDL Number:
MFCD26143856
IUPAC Name:
3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid;hydrochloride
InChI:
InChI=1S/C9H10N2O4.ClH/c12-6-2-1-4-10-8(6)9(15)11-5-3-7(13)14;/h1-2,4,12H,3,5H2,(H,11,15)(H,13,14);1H
InChI Key:
QSBGUKCYTMMYGU-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=C1N=CC=CC1=O)O.Cl
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
246.647g/mol
Monoisotopic Mass:
246.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties