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4-Propoxybenzoic acid

Catalog Number
ACM5438197
Product Name
4-Propoxybenzoic acid
Structure
CAS
5438-19-7
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Benzoic Acid, P-Propoxy-
IUPAC Name
4-propoxybenzoic acid
Molecular Weight
180.2
Molecular Formula
C10H12O3
Canonical SMILES
CCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key
GDFUWFOCYZZGQU-UHFFFAOYSA-N
Boiling Point
304.9 ºC at 760mmHg
Melting Point
144-146 ºC
Purity
0.97
Density
1.133 g/ml
Appearance
White to light yellow waxy liquid
Complexity
160
Covalently-Bonded Unit Count
1
Exact Mass
180.078644g/mol
Formal Charge
0
Heavy Atom Count
13
Log P
3.09 (LogP)
Monoisotopic Mass
180.078644g/mol
NSC Number
16632
Rotatable Bond Count
4
XLogP3
3.1
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