Ethyl 4-Isopropylbenzoate

CAT: 0127-OR1002966-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1002966-01Size:250 mg

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CAS Number

19024-50-1

MDL Number

MFCD06204314

Purity

95%

Smiles

CCOC(=O)c1ccc(cc1)C(C)C

Chemical Information

Ethyl 4-propan-2-ylbenzoate

CAS Number	19024-50-1
PubChem CID	227868
IUPAC Name	ethyl 4-propan-2-ylbenzoate
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3.8
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	179

SMILES

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

InChI

InChI=1S/C12H16O2/c1-4-14-12(13)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3

InChIKey

MKVMNGIAVDCPOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19024-50-1

CID: 227868

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3.8
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	179
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
OR1088540	Ethyl 4-bromo-2-isopropylbenzoate
OR1089220-01	Ethyl 4- (benzyloxy) -3-isopropylbenzoate
OR1089202-01	Ethyl 2-bromo-4-isopropylbenzoate
OR1080221-01	Ethyl 2-isopropylbenzoate
OR911559-01	Methyl 4-isopropylbenzoate
OR1089397-01	Ethyl 3-formyl-5-isopropylbenzoate
OR1093278	Methyl 4-bromo-2-isopropylbenzoate
OR1089231-01	Methyl 2-bromo-4-isopropylbenzoate
OR1048400-01	Methyl 4-bromo-3-isopropylbenzoate
OR1089262-01	Methyl 4- (benzyloxy) -3-isopropylbenzoate

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