3,4-Dimethoxy-2-methylcinnamic acid

CAT: 0926-FD66125-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FD66125-01Size:500 mg

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CAS Number

868562-26-9

MDL Number

MFCD03428553

Smiles

COc1ccc (\C=C\C (=O) O) c (C) c1OC

Molecular Formula

C12H14O4

Molecular Weight

222.24 g/mol

Controlled

Chemical Information

3,4-Dimethoxy-2-methylcinnamic acid

CAS Number	868562-26-9
PubChem CID	11492269
IUPAC Name	(E)-3-(3,4-dimethoxy-2-methylphenyl)prop-2-enoic acid
Molecular Formula	C12H14O4
Molecular Weight	222.24
XLogP	2.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	262

SMILES

CC1=C(C=CC(=C1OC)OC)/C=C/C(=O)O

InChI

InChI=1S/C12H14O4/c1-8-9(5-7-11(13)14)4-6-10(15-2)12(8)16-3/h4-7H,1-3H3,(H,13,14)/b7-5+

InChIKey

RCSXTTALKLGEPI-FNORWQNLSA-N

Chemical Structure

2D Structure

CAS: 868562-26-9

CID: 11492269

Formula: C12H14O4

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	222.08920892
Monoisotopic Mass	222.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	262
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
HAA70667	2,4-Dimethoxy-2-methylcinnamic Acid
FM71380-01	4-Methylcinnamic acid
FH67090-01	4-Hydroxy-2-methylcinnamic acid
FM66109-01	3-Methylcinnamic acid
BAA89597-01	(E) -α-Methylcinnamic acid
FD66811-01	3,4-Dimethoxy-2-methylphenylpropionic acid
FAA72294-01	3,4-Dimethoxy-2-methylbenzoic acid
FD70162-01	3,4-Dimethoxy-2-hydroxybenzoic acid
FD66899-01	2,4-Dimethoxy-3-methylbenzoic acid
FM34156-01	2-Methylcinnamic acid, predominantly trans

Catalog	Name
TRC-D496300-100MG	2,4-Dimethoxy-b-methylcinnamic Acid
TRC-D496300-50MG	2,4-Dimethoxy-Beta-methylcinnamic Acid
TRC-M304968-50G	4-Methylcinnamic Acid
PC302069	2,3-Difluoro-4-methylcinnamic acid
PC52468-01	4-Fluoro-2-methylcinnamic acid
HY-78087-01	3-Methylcinnamic acid
PC408268-01	2-Fluoro-4-methylcinnamic acid
sc-313038	3-Fluoro-4-methylcinnamic acid
PC302064-01	4-Fluoro-3-methylcinnamic acid
abx185747-01	2-Methylcinnamic acid