4-Hydroxy-N-[ (2S) -2-hydroxypropyl]benzamide

CAT: 0926-RVB93090-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-RVB93090-01Size:100 mg

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CAS Number

1141930-90-6

MDL Number

MFCD24363662

Smiles

CC (CNC (=O) C1=CC=C (C=C1) O) O

Molecular Formula

C10H13NO3

Molecular Weight

195.21 g/mol

Controlled

Chemical Information

4-hydroxy-N-[(2S)-2-hydroxypropyl]benzamide

CAS Number	1141930-90-6
PubChem CID	83058449
IUPAC Name	4-hydroxy-N-[(2S)-2-hydroxypropyl]benzamide
Molecular Formula	C10H13NO3
Molecular Weight	195.21
XLogP	0.6
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

C[C@@H](CNC(=O)C1=CC=C(C=C1)O)O

InChI

InChI=1S/C10H13NO3/c1-7(12)6-11-10(14)8-2-4-9(13)5-3-8/h2-5,7,12-13H,6H2,1H3,(H,11,14)/t7-/m0/s1

InChIKey

NYGFEEOHVNIUEK-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1141930-90-6

CID: 83058449

Formula: C10H13NO3

MW: 195.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.21
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	195.08954328
Monoisotopic Mass	195.08954328
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
HWB06610-01	3-Hydroxy-N- (2-hydroxypropyl) benzamide
JID06491-01	2-Hydroxy-N-[ (2S) -1-hydroxypropan-2-yl]benzamide
NAA79341-01	4-Amino-N- (3-hydroxypropyl) benzamide
ADA26814-01	4-Hydroxy-N- (2-hydroxyethyl) benzamide
XHA14159-01	3-Hydroxy-N- (4-methylphenyl) benzamide
DWB38454-01	4-Hydroxy-N- (oxan-4-yl) benzamide
ZIA81488-01	2-Hydroxy-N-[4- (trifluoromethoxy) phenyl]benzamide
WKA25871-01	4-Hydroxy-N- (pyridin-2-yl) benzamide
UQB34345-01	4-Hydroxy-N- (2,2,2-trifluoroethyl) benzamide
QBA21226-01	N-Hydroxy-2- (trifluoromethyl) benzamide

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