Ethyl 4-methylbenzoate

CAT: 0024-sc-235004Size: 50 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-235004Size:50 mL

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CAS Number

94-08-6

Chemical Information

Ethyl p-toluate

CAS Number	94-08-6
PubChem CID	66743
IUPAC Name	ethyl 4-methylbenzoate
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	2.9
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	146

SMILES

CCOC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey

NWPWRAWAUYIELB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94-08-6

CID: 66743

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	2.9
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	146
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-482344	Ethyl 3-iodo-4-methylbenzoate
sc-285564A	Ethyl-4-amino-3-methylbenzoate
sc-476846	Ethyl 4-bromo-3-methylbenzoate
sc-476846A	Ethyl 4-bromo-3-methylbenzoate
sc-285564	Ethyl-4-amino-3-methylbenzoate
sc-357352A	Ethyl 2-methylbenzoate
sc-357352	Ethyl 2-methylbenzoate
sc-234954	Ethyl 2,4-dihydroxy-6-methylbenzoate
sc-327355	Ethyl 3-hydrazino-4-methylbenzoate hydrochloride
sc-218364	Ethyl 2-Ethoxy-4-methylbenzoate-d10

Catalog	Name
GTR19251509-01	Ethyl 4-methylbenzoate
SGA75888	Ethyl 4-fluoro-2-methylbenzoate
QBA80065-01	Ethyl 4-amino-3-methylbenzoate
OR1084740	Ethyl 4- (benzyloxy) -3-methylbenzoate
OR1082688-01	Ethyl 4-isopropoxy-3-methylbenzoate
OR1095364	Ethyl 3-chloro-4-methylbenzoate
OR1088247	Ethyl 4-ethoxy-2-methylbenzoate
OR1087009-01	Ethyl 3-formyl-4-methylbenzoate
OR110368-01	Ethyl 3-amino-4-methylbenzoate
AL BI 0500-01	Ethyl 3-fluoro-4-methylbenzoate