Home Aminos Butanoic acid, 2-amino-3-oxo-, methyl ester, hydrochloride

Butanoic acid, 2-amino-3-oxo-, methyl ester, hydrochloride

CAS No.:
41172-77-4
Catalog Number:
AG00I81Y
Molecular Formula:
C5H10ClNO3
Molecular Weight:
167.5908
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Product Description
Catalog Number:
AG00I81Y
Chemical Name:
Butanoic acid, 2-amino-3-oxo-, methyl ester, hydrochloride
CAS Number:
41172-77-4
Molecular Formula:
C5H10ClNO3
Molecular Weight:
167.5908
IUPAC Name:
methyl 2-amino-3-oxobutanoate;hydrochloride
InChI:
InChI=1S/C5H9NO3.ClH/c1-3(7)4(6)5(8)9-2;/h4H,6H2,1-2H3;1H
InChI Key:
PGXUEXDOVYLHEH-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)N.Cl
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.589g/mol
Monoisotopic Mass:
167.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties