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65101-47-5 | 3-[[4-(Methyloxycarbonyl)phenyl]carbamoyl]pyridine 1-oxide
CAS No: 65101-47-5 Catalog No: AG00F7G4 MDL No:
Product Description
Catalog Number:
AG00F7G4
Chemical Name:
3-[[4-(Methyloxycarbonyl)phenyl]carbamoyl]pyridine 1-oxide
CAS Number:
65101-47-5
IUPAC Name:
methyl 3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
InChI:
InChI=1S/C14H12N2O4/c1-20-14(18)11-3-2-4-12(9-11)15-13(17)10-5-7-16(19)8-6-10/h2-9H,1H3,(H,15,17)
InChI Key:
BGNZWWWPWYCJCC-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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