Methyl 3-pentenoate

CAT: 0024-sc-235738Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-235738Size:5 mL

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CAS Number

818-58-6

Chemical Information

Methyl pent-3-enoate

CAS Number	818-58-6
PubChem CID	642274
IUPAC Name	methyl (E)-pent-3-enoate
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	94

SMILES

C/C=C/CC(=O)OC

InChI

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+

InChIKey

KJALUUCEMMPKAC-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 818-58-6

CID: 642274

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	94.7
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

Catalog	Name
sc-228579	Methyl trans-3-pentenoate
sc-286220	Methyl 2-pentenoate
sc-228521	Methyl 3- (trimethylsilyl) -4-pentenoate
sc-253030	Methyl 4-pentenoate
sc-286220A	Methyl 2-pentenoate
sc-487684	Methyl 3,3-Dimethyl-4-pentenoate
sc-279400	Methyl 4-methyl-2-pentenoate
sc-234936	Ethyl 2-methyl-4-pentenoate
sc-239910	Ethyl 4-methyl-4-pentenoate
sc-228578	Methyl trans-2-methyl-2-pentenoate

Catalog	Name
HY-W127411-01	Methyl trans-3-Pentenoate
283681-01	Methyl (E) -3-pentenoate
OR951842-01	Methyl 3- (trimethylsilyl) -4-pentenoate
TRC-M338563-2.5G	Methyl 2-Pentenoate
RG-A260839-01	Methyl 3,3-Dimethyl-4-Pentenoate
FM168945-01	Methyl 4-methyl-2-pentenoate
J-640420-01	Methyl trans-2-pentenoate
TRC-E924855-1G	Ethyl 2-Methyl-4-pentenoate
418652-01	2-Methyl (E) -2-Methyl-2-pentenoate
TRC-M414220-250MG	Methyl 2-Cyano-3-methyl-2-pentenoate E/Z conformers Mixture