Dodecyl formate

CAT: 0127-OR1061263-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061263-02Size:250 mg

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CAS Number

28303-42-6

MDL Number

MFCD07783302

Purity

98%

Smiles

O=COCCCCCCCCCCCC

Chemical Information

Dodecyl formate

Dodecyl formate is a carboxylic ester.

CAS Number	28303-42-6
PubChem CID	119919
IUPAC Name	dodecyl formate
Molecular Formula	C13H26O2
Molecular Weight	214.34
XLogP	5.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	15
Formal Charge	0
Complexity	124

SMILES

CCCCCCCCCCCCOC=O

InChI

InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3

InChIKey

WPSGFSPBRBRLIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28303-42-6

CID: 119919

Formula: C13H26O2

MW: 214.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.34
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	214.193280068
Monoisotopic Mass	214.193280068
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	124
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

Catalog	Name
M20283	Formate
053925	Citronellyl Formate for Synthesis (Citronellol Formate)
HY-W590543-01	Dodecyl azide
CAA91572-01	Dodecyl benzoate
TCL-00189-01	Dodecyl arachidate
T20648	Dodecyl gallate
T31561	Dodecyl decanoate
272910-01	Dodecyl methanethiosulfonate
TRC-D552460-500MG	Dodecyl Chloroacetate
JH600398	Dodecyl isocyanate