Trans-Cinnamyl Propanoate

CAT: 0127-OR1026873-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026873-01Size:25 g

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CAS Number

78761-38-3

Synonyms

[ (E) -3-phenylprop-2-enyl] propanoate

Purity

98%

Smiles

CCC(=O)OC/C=C/C1=CC=CC=C1

Chemical Information

Cinnamyl propionate

structure in first source

CAS Number	78761-38-3
PubChem CID	5355850
IUPAC Name	[(E)-3-phenylprop-2-enyl] propanoate
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	2.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	190

SMILES

CCC(=O)OC/C=C/C1=CC=CC=C1

InChI

InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+

InChIKey

KGDJMNKPBUNHGY-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 78761-38-3

CID: 5355850

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	190.099379685
Monoisotopic Mass	190.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	190
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
HY-N1867-01	Trans-Cinnamyl alcohol
HY-N1867R-01	Trans-Cinnamyl alcohol (Standard)
FC20452-01	1-trans-Cinnamyl-4-diphenylmethylpiperazine
HY-N8434-01	Cinnamyl caffeate
444576-01	Cinnamyl Alcohol
sc-294035	Cinnamyl Cinnamate
sc-268721	Cinnamyl propionate
AR-C07682-01	Cinnamyl Chloride
FC69788-01	Cinnamyl butyrate
TBZ2762	Cinnamyl acetate