O-Tolyl Acetate

CAT: 0024-sc-472262Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-472262Size:25 g

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CAS Number

533-18-6

Chemical Information

o-Cresyl acetate

O-Tolyl acetate is a member of phenols and a benzoate ester.

CAS Number	533-18-6
PubChem CID	10778
IUPAC Name	(2-methylphenyl) acetate
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	1.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	142

SMILES

CC1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3

InChIKey

AMZORBZSQRUXNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 533-18-6

CID: 10778

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
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
sc-228429	M-Tolyl acetate
sc-228891	P-Tolyl acetate
sc-250598	O-Tolyl isocyanate
sc-236218	O-Tolyl isothiocyanate
sc-279926	O-Tolyl benzoate
sc-496903	O-Tolyl Phosphorochloridate
sc-394230	4-o-Tolyl-o, o′-azotoluene
sc-255398	O- (p-Tolyl) chlorothionoformate
sc-496893	Di-o-tolyl-phosphate
sc-234785	Diphenyl (o-tolyl) phosphine

Catalog	Name
FT00212-01	O-Tolyl Acetate
OR75047	Methyl 2- (o-tolyl) acetate
OR1044280-01	Ethyl 2-bromo-2- (o-tolyl) acetate
OR1076332-01	Methyl 2-oxo-2- (o-tolyl) acetate
OR1099822	Ethyl 2-oxo-2- (o-tolyl) acetate
OR932170-01	M-Tolyl acetate
GTR19254851	P-Tolyl acetate
MBS3609507	m-tolyl-acetate
OR1049541-01	Methyl 2-amino-2- (o-tolyl) acetate hydrochloride
OR340133	Methyl 2- (4-nitrophenyl) -2- (o-tolyl) acetate