4- (Benzyloxy) cinnamic acid

CAT: 0127-OR24876-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR24876-01Size:500 mg

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CAS Number

6272-45-3

Synonyms

3-[4- (Benzyloxy) phenyl]acrylic acid, 3-[4- (Benzyloxy) phenyl]prop-2-enoic acid

MDL Number

MFCD00021778

Purity

98%

Smiles

OC(=O)C=Cc1ccc(OCc2ccccc2)cc1

Chemical Information

(2E)-3-[4-(benzyloxy)phenyl]prop-2-enoic acid

CAS Number	6272-45-3
PubChem CID	736710
IUPAC Name	(E)-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
Molecular Formula	C16H14O3
Molecular Weight	254.28
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	297

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C16H14O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18)/b11-8+

InChIKey

HCMSDYVKYZIYGA-DHZHZOJOSA-N

Chemical Structure

2D Structure

CAS: 6272-45-3

CID: 736710

Formula: C16H14O3

MW: 254.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.28
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	254.094294304
Monoisotopic Mass	254.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	297
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
PC302316-01	4- (Difluoromethoxy) cinnamic acid
PC405675-01	4- (Pentafluorosulphur) cinnamic acid
OR350131-01	4- (Dimethylamino) cinnamic Acid
OR1075993	4- (Bromomethyl) cinnamic acid
OR13167-01	4- (Methylthio) cinnamic acid
PC101731-01	4- (Trifluoromethyl) cinnamic acid
PC7664-01	4- (Trifluoromethyl) cinnamic acid
PC2756	4- (Trifluoromethoxy) cinnamic acid
PC10584-01	4- (4-Fluorobenzyloxy) cinnamic acid
BUP17524-01	Cinnamic acid

Catalog	Name
A9923-200	Cinnamic acid