2-Methylcinnamic acid, predominantly trans

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CAT#:0926-FM34156-01Size:0.1 Kg

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CAS Number

2373-76-4

MDL Number

MFCD00016841

Smiles

CC1=CC=CC=C1/C=C/C (=O) O

Molecular Formula

C10H10O2

Molecular Weight

162.19 g/mol

Controlled

Chemical Information

o-Methylcinnamic acid

2-Methylcinnamic Acid is a member of cinnamic acids.

CAS Number	2373-76-4
PubChem CID	819020
IUPAC Name	(E)-3-(2-methylphenyl)prop-2-enoic acid
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	184

SMILES

CC1=CC=CC=C1/C=C/C(=O)O

InChI

InChI=1S/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+

InChIKey

RSWBWHPZXKLUEX-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 2373-76-4

CID: 819020

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	184
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
FD71190-01	2,3-Dimethoxycinnamic acid - predominantly trans
BAA89597-01	(E) -α-Methylcinnamic acid
FM71380-01	4-Methylcinnamic acid
FM66109-01	3-Methylcinnamic acid
FH67090-01	4-Hydroxy-2-methylcinnamic acid
FM30313	(E) -8-Methyl-6-nonenoic acid - predominantly trans
HAA70667	2,4-Dimethoxy-2-methylcinnamic Acid
FD66125-01	3,4-Dimethoxy-2-methylcinnamic acid
AAA10139-01	α-Methylcinnamic aldehyde
HBA46654	Trans-2-Dodecenoic Acid

Catalog	Name
sc-230553	2-Methylcinnamic acid, predominantly trans
sc-232884	4-Methylcinnamic acid, predominantly trans
sc-238081	2-Hydroxycinnamic acid, predominantly trans
sc-274149	2-Acetoxycinnamic acid, predominantly trans
sc-223473A	2,5-Dimethoxycinnamic acid, predominantly trans
OR350156-01	2,6-Dichlorocinnamic Acid, predominantly trans
sc-230476A	2-Methoxycinnamaldehyde, predominantly trans
260089-01	4-Acetoxycinnamic acid, predominantly trans
sc-267347A	4-Carboxycinnamic acid, predominantly trans
sc-225983	3-Bromocinnamic acid, predominantly trans