Methyl 3-methylphenylacetate

CAT: 0127-OR941614-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR941614-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

53088-69-0

MDL Number

MFCD00968468

Purity

98%

Smiles

COC(=O)Cc1cccc(C)c1

Chemical Information

Methyl 2-(m-tolyl)acetate

CAS Number	53088-69-0
PubChem CID	5135288
IUPAC Name	methyl 2-(3-methylphenyl)acetate
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	2.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	154

SMILES

CC1=CC(=CC=C1)CC(=O)OC

InChI

InChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)7-10(11)12-2/h3-6H,7H2,1-2H3

InChIKey

AWTKFTNNPQGGLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53088-69-0

CID: 5135288

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
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
OR922797-01	Methyl 4-methylphenylacetate
OR5589-01	Ethyl 4-methylphenylacetate
PC1016554-01	Methyl 3- ((3-fluorophenoxy) methyl) benzoate
OR1003265-01	Methyl 3-[ (3-Formylphenoxy) methyl]benzoate
OR25567	Methyl 3- (3-methyl-2-thienyl) acrylate
OR1099970-01	Methyl 3- (methoxy (methyl) amino) -3-oxopropanoate
OR1041952-01	3-Methyl-3- ((methylsulfonyl) methyl) azetidine hydrochloride
OR470721	Methyl 2-Methyl-3-oxo-3-phenylpropanoate
PC520869	Methyl 3,3-difluoro-1-methyl-cyclobutanecarboxylate
OR1040542-01	Methyl 3-methyl-5-nitropicolinate

Catalog	Name
sc-235779	Methyl 4-methylphenylacetate
455282-01	Methyl 3-Methyl-3- (methylamino) butanoate
TRC-M322975-500MG	Methyl 3-Methyl-3-(methylamino)butanoate
JH913511	3-Methyl-3-[ (methylsulfonyl) methyl]azetidine
TNA30512-01	Methyl 3- (3-methoxyphenyl) -2-methyl-3-oxopropanoate
M357200	Methyl 2-Methyl-3-oxo-3-phenylpropanoate
GWC08128-01	[ (3-Ethoxyoxolan-3-yl) methyl] (methyl) amine
PMC70021-01	[ (3-Methoxyoxolan-3-yl) methyl] (methyl) amine
sc-312096	3-[ (3-Methyl-4-nitrophenoxy) methyl]piperidinehydrochloride
YKC77081-01	Methyl 3-methyl-2-oxopyrrolidine-3-carboxylate