3- (Hydroxymethyl) -N-methylbenzamide

CAT: 0127-OR1001242Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001242Size:100 mg

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CAS Number

1373162-20-9

Purity

98%

Smiles

O=C(NC)C1=CC=CC(CO)=C1

Chemical Information

3-(hydroxymethyl)-N-methylbenzamide

CAS Number	1373162-20-9
PubChem CID	67080230
IUPAC Name	3-(hydroxymethyl)-N-methylbenzamide
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	0.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CNC(=O)C1=CC=CC(=C1)CO

InChI

InChI=1S/C9H11NO2/c1-10-9(12)8-4-2-3-7(5-8)6-11/h2-5,11H,6H2,1H3,(H,10,12)

InChIKey

WCMQEMBLPLNJJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1373162-20-9

CID: 67080230

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR470601-01	2- (Hydroxymethyl) -N-methylbenzamide
OR1098549-01	N- (2-Hydroxyethyl) -3-methylbenzamide
OR900376-01	3-Hydroxy-N-methylbenzamide
OR946459	3-Cyano-N-methylbenzamide
OR19572	3-Ethenyl-N-methylbenzamide
OR1064207-01	N,3-Dimethoxy-N-methylbenzamide
OR946371-01	3- (Chloromethyl) -N-methylbenzamide
OR957050	3-Chloro-N-methylbenzamide
OR11565	3-Bromo-N-methylbenzamide
OR90608-01	3-Iodo-N-methylbenzamide

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