Compound TBBP04531

CAT: 0127-BUP18836Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-BUP18836Size:5 g

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CAS Number

4192-77-2

Purity

=98%

Smiles

C(=C/C(OCC)=O)\C1=CC=CC=C1

Chemical Information

Ethyl Cinnamate

Ethyl cinnamate is an alkyl cinnamate and an ethyl ester.

CAS Number	4192-77-2
PubChem CID	637758
IUPAC Name	ethyl (E)-3-phenylprop-2-enoate
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

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

InChI

InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChIKey

KBEBGUQPQBELIU-CMDGGOBGSA-N

Chemical Structure

2D Structure

CAS: 4192-77-2

CID: 637758

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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