Home Aminos Propanoic acid,3-(methylnitrosoamino)-

Propanoic acid,3-(methylnitrosoamino)-

CAS No.:
10478-42-9
Catalog Number:
AG007GKJ
Molecular Formula:
C4H8N2O3
Molecular Weight:
132.1179
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Product Description
Catalog Number:
AG007GKJ
Chemical Name:
Propanoic acid,3-(methylnitrosoamino)-
CAS Number:
10478-42-9
Molecular Formula:
C4H8N2O3
Molecular Weight:
132.1179
MDL Number:
MFCD01674442
IUPAC Name:
3-[methyl(nitroso)amino]propanoic acid
InChI:
InChI=1S/C4H8N2O3/c1-6(5-9)3-2-4(7)8/h2-3H2,1H3,(H,7,8)
InChI Key:
JZVIGHIXBBLOEB-UHFFFAOYSA-N
SMILES:
O=NN(CCC(=O)O)C
UNII:
3GDQ24CJD0
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.119g/mol
Monoisotopic Mass:
132.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Detection of 7-(2'-carboxyethyl)guanine but not 7-carboxymethylguanine in human liver DNA. Chemical research in toxicology 20100621
Properties