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86459-32-7 | Butanoic acid, 2-(hydroxyimino)-3-oxo-, methyl ester, (Z)-
CAS No: 86459-32-7 Catalog No: AG004QU9 MDL No:
Product Description
Catalog Number:
AG004QU9
Chemical Name:
Butanoic acid, 2-(hydroxyimino)-3-oxo-, methyl ester, (Z)-
CAS Number:
86459-32-7
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
IUPAC Name:
methyl (E)-3-hydroxy-2-nitrosobut-2-enoate
InChI:
InChI=1S/C5H7NO4/c1-3(7)4(6-9)5(8)10-2/h7H,1-2H3/b4-3+
InChI Key:
HBNXCPZHXHOZBN-ONEGZZNKSA-N
SMILES:
COC(=O)/C(=N\O)/C(=O)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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