3-Methoxycinnamic acid

CAT: 0926-FM37085-02Size: 50 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FM37085-02Size:50 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6099-04-3

MDL Number

MFCD00004386

Smiles

COc1cccc (\C=C\C (=O) O) c1

Molecular Formula

C10H10O3

Molecular Weight

178.18 g/mol

Controlled

Chemical Information

3-Methoxycinnamic Acid

3-Methoxycinnamic acid is a hydroxycinnamic acid.

CAS Number	6099-04-3
PubChem CID	637668
IUPAC Name	(E)-3-(3-methoxyphenyl)prop-2-enoic acid
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	198

SMILES

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

InChI

InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+

InChIKey

LZPNXAULYJPXEH-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 6099-04-3

CID: 637668

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
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
FM71289-01	2-Methoxycinnamic acid
FM38609-01	4-Methoxycinnamic acid
FB67508-01	3-Bromo-4-methoxycinnamic acid
AAA94389-01	4-Methoxycinnamic acid
FF67515-01	3-Fluoro-4-methoxycinnamic acid
FM146401-01	3,4-Methylenedioxy-5-methoxycinnamic acid
FD146395-01	3,4-Dihydroxy-5-methoxycinnamic acid
PAA73791	Cis-2-Methoxycinnamic acid
BAA01154	Trans-2-Methoxycinnamic Acid
FE66333-01	2-Ethoxy-4-methoxycinnamic acid

Catalog	Name
sc-231805	3-Methoxycinnamic acid
AB1576	4-Methoxycinnamic acid
BUP15767	2-Methoxycinnamic acid
432161-01	4-Ethoxy-3-methoxycinnamic acid
TRC-H972690-10G	3-Hydroxy-4-methoxycinnamic Acid
OR960122-01	4-Bromo-3-methoxycinnamic acid
OR11310-01	4-Hydroxy-3-methoxycinnamic acid
sc-267257	4-Benzyloxy-3-methoxycinnamic acid
PC302299-01	3-Fluoro-2-methoxycinnamic acid
sc-231600	3-Chloro-4-methoxycinnamic acid