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4-Methoxycinnamic acid, predominantly trans

Catalog Number
ACM830091-1
Product Name
4-Methoxycinnamic acid, predominantly trans
Structure
CAS
830-09-1
Category
Liquid Crystal (LC) Materials
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
Heavy Atom Count
13
Log P
2.68
MeSH Entry Terms
4-methoxycinnamate;4-methoxycinnamate, (E)-isomer;4-methoxycinnamate, (Z)-isomer;4-methoxycinnamate, aluminum salt;4-methoxycinnamate, calcium salt;4-methoxycinnamate, magnesium salt;4-methoxycinnamate, potassium salt;4-methoxycinnamate, sodium salt;4-methoxycinnamate, zinc salt;4-methoxycinnamate, zirconium salt;4-methoxycinnamic acid;4-methoxycinnamic acid, (Z)-;E-p-methoxycinnamic acid
Monoisotopic Mass
178.062994g/mol
NSC Number
623437;5303
Rotatable Bond Count
3
UNII
6G4ML8401A
XLogP3
1.8
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