Trans-2,4-Dimethoxycinnamic acid

CAT: 0024-sc-229497Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-229497Size:5 g

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CAS Number

16909-09-4

Chemical Information

2,4-Dimethoxycinnamic acid

2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)- is a member of cinnamic acids.

CAS Number	16909-09-4
PubChem CID	734009
IUPAC Name	(E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	1.8
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)O)OC

InChI

InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+

InChIKey

YIKHDPHTFYWYJV-GQCTYLIASA-N

Chemical Structure

2D Structure

CAS: 16909-09-4

CID: 734009

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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
sc-232017	3,4-Dimethoxycinnamic acid, predominantly trans
sc-223473	2,5-Dimethoxycinnamic acid, predominantly trans
sc-223473A	2,5-Dimethoxycinnamic acid, predominantly trans
sc-485882	2,4-Dimethoxycinnamic acid
sc-226307	3,5-Dimethoxycinnamic acid, predominantly trans
sc-265468	2-Bromo-4,5-dimethoxycinnamic acid
sc-229496	Trans-2,4-Dichlorocinnamic acid
sc-255673	Trans-2,4-Difluorocinnamic acid
sc-238015	2-cis,4-trans-Abscisic acid
sc-253722	Trans-2- (4-Methoxyphenyl) vinylboronic acid

Catalog	Name
OR6575-01	Trans-3,4-Dimethoxycinnamic acid
HAA34582	Trans-2,3-Dimethoxycinnamic Acid
FD71190-01	2,3-Dimethoxycinnamic acid - predominantly trans
OR1010058-01	2,4-Dimethoxycinnamic Acid
D34320-01	2,4-Dimethoxycinnamic acid 97%
FD38203-01	3,4-Dimethoxycinnamic acid
MBS3609326-01	3, 4-Dimethoxycinnamic acid
OR1565-01	2-Bromo-4,5-dimethoxycinnamic acid
RG-A261848-01	3′,4′-Dimethoxycinnamic Acid