Trans-3-Phenoxycinnamic acid

CAT: 0127-OR13152-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR13152-01Size:250 mg

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CAS Number

77124-20-0

Synonyms

(E) -3- (3-Phenoxyphenyl) acrylic acid, (2E) -3- (3-Phenoxyphenyl) prop-2-enoic acid

MDL Number

MFCD00736661

Purity

=95%

Smiles

OC(=O)\C=C\c1cccc(Oc2ccccc2)c1

Chemical Information

3-Phenoxycinnamic acid

CAS Number	77124-20-0
PubChem CID	735856
IUPAC Name	(E)-3-(3-phenoxyphenyl)prop-2-enoic acid
Molecular Formula	C15H12O3
Molecular Weight	240.25
XLogP	3.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	292

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/C(=O)O

InChI

InChI=1S/C15H12O3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H,(H,16,17)/b10-9+

InChIKey

RYTBBLWPDBZDHT-MDZDMXLPSA-N

Chemical Structure

2D Structure

CAS: 77124-20-0

CID: 735856

Formula: C15H12O3

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	240.078644241
Monoisotopic Mass	240.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	292
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
BUP14591-01	Trans-3-Indoleacrylic acid
OR921965-01	Trans-3-Methoxycyclobutanecarboxylic acid
OR6577-01	Trans-3-Chlorocinnamic acid
OR5957-01	Trans-3-Hydroxycinnamic acid
OR924057-01	Trans-3-Hydroxycyclobutanecarboxylic acid
OR317069	Trans-3-Methylcyclobutanecarboxylic acid
OR1059974-01	Trans-3-Aminocyclohexanecarboxylic acid
OR27554	Trans-3-Ethoxycinnamic acid
OR1015270-01	Trans-3-Hexenoic Acid
BUP17658-01	Trans-trans-Muconic acid

Catalog	Name
FP67765-01	4-Phenoxycinnamic acid
HY-W015273A-01	Trans-3-Indoleacrylic acid
TRC-F863680-2.5G	trans-3-Furanacrylic Acid
sc-229505	Trans-3-Fluorocinnamic acid
sc-272640	Trans-3-Bromocinnamic acid
HY-W061909	Trans-3-Aminocyclobutanecarboxylic acid
AAA55568-01	Trans-3-Nitrocinnamic acid
TRC-H294905-1G	trans-3-Hexenedioic Acid
sc-251274A	Trans-3-Hydroxycinnamic acid
sc-229508	Trans-3-Hexenoic acid