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20207-16-3 | Butanoic acid, 2-amino-3-oxo-, ethyl ester, hydrochloride (1:1)
CAS No: 20207-16-3 Catalog No: AG00281N MDL No:MFCD09971784
Product Description
Catalog Number:
AG00281N
Chemical Name:
Butanoic acid, 2-amino-3-oxo-, ethyl ester, hydrochloride (1:1)
CAS Number:
20207-16-3
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
MDL Number:
MFCD09971784
IUPAC Name:
ethyl 2-amino-3-oxobutanoate;hydrochloride
InChI:
InChI=1S/C6H11NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h5H,3,7H2,1-2H3;1H
InChI Key:
BGJIQVZAHKXUFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)N.Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.616g/mol
Monoisotopic Mass:
181.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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