Amyl Formate for Synthesis

CAT: 0459-010595Size: 500 gDry Ice: NoHazardous: No

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CAT#:0459-010595Size:500 g

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CAS Number

638-49-3

Chemical Information

Pentyl formate

Pentyl formate is a carboxylic ester.

CAS Number	638-49-3
PubChem CID	12529
IUPAC Name	pentyl formate
Molecular Formula	C6H12O2
Molecular Weight	116.16
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	8
Formal Charge	0
Complexity	52

SMILES

CCCCCOC=O

InChI

InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3

InChIKey

DIQMPQMYFZXDAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 638-49-3

CID: 12529

Formula: C6H12O2

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	52.5
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

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