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Methyl hydroxy (phenyl) carbamate

CAT: 0127-OR1055391-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1055391-01Size:250 mg
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CAS Number
28091-62-5
Purity
97%
Smiles
O=C(OC)N(O)C1=CC=CC=C1

Chemical Information

Carbamic acid, hydroxyphenyl-, methyl ester
CAS Number28091-62-5
PubChem CID9815320
IUPAC Namemethyl N-hydroxy-N-phenylcarbamate
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP1.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
COC(=O)N(C1=CC=CC=C1)O
InChI
InChI=1S/C8H9NO3/c1-12-8(10)9(11)7-5-3-2-4-6-7/h2-6,11H,1H3
InChIKey
LATWSDIUBJMLJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbamic acid, hydroxyphenyl-, methyl ester
CAS: 28091-62-5
CID: 9815320
Formula: C8H9NO3
MW: 167.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.16
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area49.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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

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