Benyl propionic methyl ester

CAT: 0127-OR1043215-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1043215-01Size:250 mg

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CAS Number

29417-83-2

Purity

97%

Smiles

COC(=O)C(Cc1ccccc1)C

Chemical Information

Methyl 2-methyl-3-phenylpropanoate

CAS Number	29417-83-2
PubChem CID	11105919
IUPAC Name	methyl 2-methyl-3-phenylpropanoate
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	159

SMILES

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

InChI

InChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

ZQDZXEFWUCNPMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29417-83-2

CID: 11105919

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1030679-01	Propionic Acid Benzyl Ester
OR955582	2- (4-Methyl-phenyl) -propionic acid methyl ester
OR97745-01	3-[Benzyl- (2-methoxycarbonyl-ethyl) -amino]-2-methyl-propionic acid methyl ester
OR931629	2-Chlorocarbonyl-2-methyl-propionic acid ethyl ester
OR317059	3-Cyclobutyl-3-oxo-propionic acid methyl ester
OR930185-01	2-Hydroxy-3-phenyl-propionic acid methyl ester
OR955657	3-Hydroxy-3-phenyl-propionic acid methyl ester
OR97411	2-Methyl-2- (3-nitro-phenyl) -propionic acid methyl ester
BUP23413-01	3- (4-Chloro-phenylamino) -propionic acid methyl ester
OR1004926-01	2- (3-Benzyloxy-phenyl) -propionic acid methyl ester

Catalog	Name
463066-01	Propionic Acid Methyl Ester
463067	Propionic Acid Methyl-d3 Ester
HY-W295865-01	3-Benzyloxy-propionic acid methyl ester
TRC-H949495-10G	3-(4-Hydroxyphenyl)propionic Acid Methyl Ester
TRC-T791760-5G	(R)-2-(Trifluoromethylsulfonyloxy)propionic Acid Methyl Ester
sc-499075	2-Methylamino-propionic acid methyl ester hydrochloride
463715-01	(R) -2- (Trifluoromethylsulfonyloxy) propionic Acid Methyl Ester
422916-01	3- (4-Hydroxyphenyl) propionic Acid Methyl Ester
AHA22547-01	2- (3-Trifluoromethyl-phenyl) -propionic acid methyl ester
263478-01	3- (4-tert-Butylbenzene) propionic acid, methyl ester