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23424-37-5 | methyl 2-(N-hydroxyimino)-4-oxo-4-(pyridin-3-yl)butanoate
CAS No: 23424-37-5 Catalog No: AG019XCK MDL No:MFCD13196102
Product Description
Catalog Number:
AG019XCK
Chemical Name:
methyl 2-(N-hydroxyimino)-4-oxo-4-(pyridin-3-yl)butanoate
CAS Number:
23424-37-5
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD13196102
IUPAC Name:
methyl 2-hydroxyimino-4-oxo-4-pyridin-3-ylbutanoate
InChI:
InChI=1S/C10H10N2O4/c1-16-10(14)8(12-15)5-9(13)7-3-2-4-11-6-7/h2-4,6,15H,5H2,1H3
InChI Key:
XWTDDNYGJCQGHP-UHFFFAOYSA-N
SMILES:
ON=C(C(=O)OC)CC(=O)c1cccnc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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