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N-(Hydroxymethyl)benzamide

CAT: 0572-TRC-N010410-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N010410-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6282-02-6
Synonyms
Benzamidomethanol; Monomethylolbenzamide; N-Methylolbenzamide; N-Monomethylolbenzamide; NSC 5946
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
OCNC(=O)c1ccccc1
Molecular Formula
C8H9NO2
Molecular Weight
151.16
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(hydroxymethyl)benzamide
CAS Number6282-02-6
PubChem CID80493
IUPAC NameN-(hydroxymethyl)benzamide
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP0.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
C1=CC=C(C=C1)C(=O)NCO
InChI
InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKey
UOUBPDZUBVJZOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(hydroxymethyl)benzamide
CAS: 6282-02-6
CID: 80493
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
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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