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P-Anisic Acid

Catalog Number
ACM100094
Product Name
P-Anisic Acid
Structure
CAS
100-09-4
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Draconic acid
Description
Solid;Solid;white crystals with practically no odour
IUPAC Name
4-Methoxybenzoic acid
Molecular Weight
152.15
Molecular Formula
C8H8O3
Canonical SMILES
COC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Boiling Point
275 °C
Melting Point
182-185 °C
Flash Point
185 °C
Purity
95%+
Density
1.385 g/cm³ at 25 °C(lit.)
Solubility
Soluble in boiling water, organic solvents
Complexity
136
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
202-818-5;215-618-8
Exact Mass
152.047344113
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Log P
1.96 (LogP);1.96;1.96
MeSH Entry Terms
4-methoxybenzoic acid
Monoisotopic Mass
152.047344113
NSC Number
32742;7926
Odor
Practically no odor
PH
3-4 (0.3g/l, H2O)
Refractive Index
n20/D 1.571-1.576(lit.)
Rotatable Bond Count
2
Storage Conditions
Below +30 °C
Topological Polar Surface Area
46.5 Ų
UNII
4SB6Y7DMM3
XLogP3
2
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