Oxiran-2-ylmethyl hexanoate

CAT: 0127-OR1061132-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061132-01Size:100 mg

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CAS Number

17526-74-8

MDL Number

MFCD01723334

Purity

98%

Smiles

CCCCCC(OCC1OC1)=O

Chemical Information

Glycidyl hexanoate

CAS Number	17526-74-8
PubChem CID	28579
IUPAC Name	oxiran-2-ylmethyl hexanoate
Molecular Formula	C9H16O3
Molecular Weight	172.22
XLogP	1.7
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

CCCCCC(=O)OCC1CO1

InChI

InChI=1S/C9H16O3/c1-2-3-4-5-9(10)12-7-8-6-11-8/h8H,2-7H2,1H3

InChIKey

LYJNHHFSQGRJFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17526-74-8

CID: 28579

Formula: C9H16O3

MW: 172.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.22
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	172.109944368
Monoisotopic Mass	172.109944368
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
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
OR1062593-01	Oxiran-2-ylmethyl octanoate
OR1061342-01	Oxiran-2-ylmethyl dodecanoate
OR1049156-01	Oxiran-2-ylmethyl benzoate
OR1063192-01	Oxiran-2-ylmethyl butyrate
OR1014565-01	Oxiran-2-ylmethyl acrylate
OR1062019-01	Oxiran-2-ylmethyl oleate
OR1061476-01	Oxiran-2-ylmethyl tetradecanoate
OR1049064-01	Oxiran-2-ylmethyl 4-nitrobenzenesulfonate
OR96641-01	Oxiran-2-ylmethyl 4-methylbenzenesulfonate
OR0739-01	(2S) -Oxiran-2-ylmethyl 4-methylbenzenesulphonate

Catalog	Name
HY-W704867-01	Oxiran-2-ylmethyl hexanoate
CAA19861	Isoamyl Hexanoate (contains 2-Methylbutyl Hexanoate)
FD15528-01	2-Diethylaminoethyl hexanoate
CS-ED-26379	2- (Diethylamino) ethyl hexanoate
sc-486956	Trans-2-Hexenyl Hexanoate
AK ET C024-01	Ethyl 2- (aminomethyl) hexanoate
JH779363	Pentan-2-yl hexanoate
TRC-D443908-50MG	2-Diethylaminoethyl Hexanoate Citrate Salt
AR-D02427-01	2- (2-Formyl-4-Nitrophenoxy) -Hexanoate
sc-487186	2,4,6-Tribromophenyl Hexanoate