(E) -3-Hexenyl Acetate

CAT: 1596-AR-H07555-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-H07555-06Size:250 Units

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CAS Number

3681-82-1

Molecular Formula

C8H14O2

Molecular Weight

142.20

API Name

Hexene

Chemical Information

3-Hexenyl acetate, (3E)-

3E-Hexenyl acetate is a carboxylic ester.

CAS Number	3681-82-1
PubChem CID	5352557
IUPAC Name	[(E)-hex-3-enyl] acetate
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	1.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC/C=C/CCOC(=O)C

InChI

InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+

InChIKey

NPFVOOAXDOBMCE-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 3681-82-1

CID: 5352557

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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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