(E) -4-Propoxycinnamic acid

CAT: 0926-BGA53967Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-BGA53967Size:10 g

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CAS Number

151539-67-2

MDL Number

MFCD00995149

Smiles

CCCOC1=CC=C (C=C1) C=CC (=O) O

Molecular Formula

C12H14O3

Molecular Weight

206.24 g/mol

Controlled

Chemical Information

4-Propoxycinnamic Acid

CAS Number	151539-67-2
PubChem CID	5948800
IUPAC Name	(E)-3-(4-propoxyphenyl)prop-2-enoic acid
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	215

SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C12H14O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b8-5+

InChIKey

WTYNDSOJMSGRQV-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 151539-67-2

CID: 5948800

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	215
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