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113964-54-8 | Methanimidoperoxoic acid, N-(2-formylphenyl)-
CAS No: 113964-54-8 Catalog No: AG000A6T MDL No:
Product Description
Catalog Number:
AG000A6T
Chemical Name:
Methanimidoperoxoic acid, N-(2-formylphenyl)-
CAS Number:
113964-54-8
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
hydroxy N-(2-formylphenyl)methanimidate
InChI:
InChI=1S/C8H7NO3/c10-5-7-3-1-2-4-8(7)9-6-12-11/h1-6,11H
InChI Key:
QRTVLMRCYXDLDC-UHFFFAOYSA-N
SMILES:
OOC=Nc1ccccc1C=O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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