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4-Ethylbenzoic Acid

Catalog Number
ACM619647
CAS Number
619-64-7
Product Name
4-Ethylbenzoic Acid
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Description
Solid
IUPAC Name
4-ethylbenzoic acid
Molecular Weight
150.17g/mol
Molecular Formula
C9H10O2
Canonical SMILES
CCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key
ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Melting Point
112.5 °C;112-113°C
Complexity
135
Covalently-Bonded Unit Count
1
EC Number
210-605-3
Exact Mass
150.06808g/mol
Formal Charge
0
Heavy Atom Count
11
Log P
2.89 (LogP);2.89
MeSH Entry Terms
4-ethylbenzoate;4-ethylbenzoic acid
Monoisotopic Mass
150.06808g/mol
NSC Number
59888
Rotatable Bond Count
2
UNII
9TKM8P0G6R
XLogP3
2.9
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