Allyl Cinnamate

CAT: 0024-sc-291858Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-291858Size:25 g

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CAS Number

1866-31-5

Chemical Information

Allyl Cinnamate

Allyl cinnamate is a cinnamate ester.

CAS Number	1866-31-5
PubChem CID	641423
IUPAC Name	prop-2-enyl (E)-3-phenylprop-2-enoate
Molecular Formula	C12H12O2
Molecular Weight	188.22
XLogP	3
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	212

SMILES

C=CCOC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+

InChIKey

KCMITHMNVLRGJU-CMDGGOBGSA-N

Chemical Structure

2D Structure

CAS: 1866-31-5

CID: 641423

Formula: C12H12O2

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	188.083729621
Monoisotopic Mass	188.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212
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