4-Methoxycinnamic acid

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Catalog Number
ACM943895
Product Name
4-Methoxycinnamic acid
Structure
Structure
CAS
943-89-5
Category
Heterocyclic Organic Compound
Description
Solid
IUPAC Name
(E)-3-(4-methoxyphenyl)prop-2-enoic acid
Molecular Weight
178.18g/mol
Molecular Formula
C10H10O3
Canonical SMILES
COC1=CC=C(C=C1)C=CC(=O)O
InChI
InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChI Key
AFDXODALSZRGIH-QPJJXVBHSA-N
Melting Point
173-175°C
Solubility
0.712 mg/mL at 25 °C
Complexity
190
Covalently-Bonded Unit Count
1
EC Number
212-594-0;213-405-4
Exact Mass
178.062994g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
13
LogP
2.68
Monoisotopic Mass
178.062994g/mol
NSC Number
623437;5303
Rotatable Bond Count
3
UNII
6G4ML8401A
XLogP3
1.8
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