Ethyl cyclohex-2-ene-1-carboxylate

CAT: 0926-FCA51068-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FCA51068-01Size:50 mg

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CAS Number

55510-68-4

MDL Number

MFCD18830882

Smiles

CCOC (=O) C1CCCC=C1

Molecular Formula

C9H14O2

Molecular Weight

154.21 g/mol

Controlled

Chemical Information

Ethyl cyclohex-2-ene-1-carboxylate

CAS Number	55510-68-4
PubChem CID	297202
IUPAC Name	ethyl cyclohex-2-ene-1-carboxylate
Molecular Formula	C9H14O2
Molecular Weight	154.21
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

CCOC(=O)C1CCCC=C1

InChI

InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3

InChIKey

NFWWBOBFVBORTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55510-68-4

CID: 297202

Formula: C9H14O2

MW: 154.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.21
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	154.099379685
Monoisotopic Mass	154.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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
BAA61722-01	Ethyl cyclohex-1-ene-1-carboxylate
KFA78754-01	Ethyl 4-oxo-2- (trifluoromethyl) cyclohex-2-ene-1-carboxylate
PCA22984-01	Ethyl 2-methylcyclopent-1-ene-1-carboxylate
GCA66194-01	Ethyl 2-aminocyclooct-1-ene-1-carboxylate
EEA65469-01	Ethyl 2-methylcyclohex-1-ene-1-carboxylate
GCA66191-01	Ethyl 2-aminocyclohept-1-ene-1-carboxylate
GHA94146-01	Ethyl cyclobut-1-ene-1-carboxylate
SBA18554-01	1- (2-Bromoethyl) cyclohex-1-ene
MCA11515-01	Cyclohex-2-ene-1-carboxylic acid
XIA55513-01	Methyl 1- (prop-2-yn-1-yl) cyclohex-3-ene-1-carboxylate

Catalog	Name
JH96795	Ethyl 4- (trifluoromethylsulfonyloxy) cyclohex-3-ene-1-carboxylate
OR3001	1-[2- (Isothiocyanato) ethyl]cyclohex-1-ene
GTR19251831-01	Ethyl 6- (3-pyridyl) cyclohex-3-ene-1-carboxylate
OR53093	Ethyl 2-methylcycloprop-2-ene-1-carboxylate
PC1001748-01	Ethyl 2-fluorocyclopent-1-ene-1-carboxylate
OR83842-01	Ethyl cyclopent-1-ene-1-carboxylate
OR70042	Ethyl 3-oxocyclopent-1-ene-1-carboxylate
OR923543	Ethyl 1-cyanocyclopent-3-ene-1-carboxylate
OR54759-01	Ethyl 6-hydroxycyclohex-1-ene-1-carboxylate
JH920203	Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate