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85968-58-7 | 2-HYDROXYIMINO-N-(3-METHOXY-PHENYL)-3-OXO-BUTYRAMIDE
CAS No: 85968-58-7 Catalog No: AG004QBR MDL No:
Product Description
Catalog Number:
AG004QBR
Chemical Name:
2-HYDROXYIMINO-N-(3-METHOXY-PHENYL)-3-OXO-BUTYRAMIDE
CAS Number:
85968-58-7
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
(E)-3-hydroxy-N-(3-methoxyphenyl)-2-nitrosobut-2-enamide
InChI:
InChI=1S/C11H12N2O4/c1-7(14)10(13-16)11(15)12-8-4-3-5-9(6-8)17-2/h3-6,14H,1-2H3,(H,12,15)/b10-7+
InChI Key:
ZSBBYKWJEYISAC-JXMROGBWSA-N
SMILES:
ON=C(C(=O)Nc1cccc(c1)OC)C(=O)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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