Ethyl 3-ethyl-2-methylbenzoate

CAT: 0127-OR1091010-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1091010-01Size:250 mg

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CAS Number

2969420-60-6

MDL Number

MFCD34864234

Purity

95%

Smiles

C1 (cccc (c1C) CC) C (=O) OCC

Chemical Information

Ethyl 3-ethyl-2-methylbenzoate

CAS Number	2969420-60-6
PubChem CID	154556282
IUPAC Name	ethyl 3-ethyl-2-methylbenzoate
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	189

SMILES

CCC1=C(C(=CC=C1)C(=O)OCC)C

InChI

InChI=1S/C12H16O2/c1-4-10-7-6-8-11(9(10)3)12(13)14-5-2/h6-8H,4-5H2,1-3H3

InChIKey

PKSYQGUXIDSWLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2969420-60-6

CID: 154556282

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	189
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
OR95102-01	Ethyl 3-methylbenzoate
OR923435-01	Ethyl 2-methylbenzoate
OR1094764-01	Ethyl 3-acetyl-2-methylbenzoate
PC1014859-01	Ethyl 3- (difluoromethyl) -2-methylbenzoate
OR96089-01	Ethyl 3-bromo-2-methylbenzoate
OR1096220-01	Ethyl 2-iodo-3-methylbenzoate
PC1009391-01	Ethyl 2-fluoro-3-methylbenzoate
OR1080745-01	Ethyl 3-cyano-2-methylbenzoate
OR110425-01	Ethyl 3-amino-2-methylbenzoate
OR1095953	Ethyl 2-chloro-3-methylbenzoate

Catalog	Name
sc-357352A	Ethyl 2-methylbenzoate
FCA21185-01	Ethyl 2-hydroxy-3-methylbenzoate
RG-E140833-01	Ethyl 2-amino-3-methylbenzoate
RG-E140575-01	Ethyl 2,3-difluoro-4-methylbenzoate
sc-235004	Ethyl 4-methylbenzoate
TBC18856	2- (Diethylamino) ethyl 2-amino-3-methylbenzoate
QBA80065-01	Ethyl 4-amino-3-methylbenzoate
AL BI 0500-01	Ethyl 3-fluoro-4-methylbenzoate
449226-01	Ethyl 4-bromo-3-methylbenzoate
sc-482344	Ethyl 3-iodo-4-methylbenzoate