Ethyl 3-cyclohexylacrylate

CAT: 0926-FE134913-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-FE134913-01Size:0.25 g

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CAS Number

17343-88-3

Synonyms

(2E) -3-Cyclohexylprop-2-enoic acid ethyl ester; Ethyl (2E) -3-cyclohexyl-2-propenoate

MDL Number

MFCD09839402

Smiles

CCOC (=O) /C=C/C1CCCCC1

Molecular Formula

C11H18O2

Molecular Weight

182.26 g/mol

Controlled

Chemical Information

(E)-Ethyl 3-cyclohexylacrylate

CAS Number	17343-88-3
PubChem CID	5358357
IUPAC Name	ethyl (E)-3-cyclohexylprop-2-enoate
Molecular Formula	C11H18O2
Molecular Weight	182.26
XLogP	3.5
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	179

SMILES

CCOC(=O)/C=C/C1CCCCC1

InChI

InChI=1S/C11H18O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b9-8+

InChIKey

SLGCKLRNFQEFEO-CMDGGOBGSA-N

Chemical Structure

2D Structure

CAS: 17343-88-3

CID: 5358357

Formula: C11H18O2

MW: 182.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.26
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	182.130679813
Monoisotopic Mass	182.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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