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82219-93-0 | Propanoic acid, 3-amino-2-(ethoxyimino)-3-oxo-, methyl ester, (Z)-
CAS No: 82219-93-0 Catalog No: AG0056FI MDL No:
Product Description
Catalog Number:
AG0056FI
Chemical Name:
Propanoic acid, 3-amino-2-(ethoxyimino)-3-oxo-, methyl ester, (Z)-
CAS Number:
82219-93-0
Molecular Formula:
C6H10N2O4
Molecular Weight:
174.1546
IUPAC Name:
methyl 3-amino-2-ethoxyimino-3-oxopropanoate
InChI:
InChI=1S/C6H10N2O4/c1-3-12-8-4(5(7)9)6(10)11-2/h3H2,1-2H3,(H2,7,9)
InChI Key:
BMWLMVBETNIPKN-UHFFFAOYSA-N
SMILES:
CCO/N=C(\C(=O)OC)/C(=O)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.156g/mol
Monoisotopic Mass:
174.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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