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Methyl (2-hydroxybenzoyl) imidoformate

CAT: 0024-sc-358273Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-358273Size:1 g
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CAS Number
1000018-60-9

Chemical Information

Methyl (2-hydroxybenzoyl)imidoformate
CAS Number1000018-60-9
PubChem CID26966721
IUPAC Namemethyl N-(2-hydroxybenzoyl)methanimidate
Molecular FormulaC9H9NO3
Molecular Weight179.17
XLogP2.7
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity203
SMILES
COC=NC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C9H9NO3/c1-13-6-10-9(12)7-4-2-3-5-8(7)11/h2-6,11H,1H3
InChIKey
PZHHJDXZNQZUSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl (2-hydroxybenzoyl)imidoformate
CAS: 1000018-60-9
CID: 26966721
Formula: C9H9NO3
MW: 179.17
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight179.17
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass179.058243149
Monoisotopic Mass179.058243149
Topological Polar Surface Area58.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes