4-Propylbenzoic Acid

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Catalog Number
ACM2438053
Product Name
4-Propylbenzoic Acid
Structure
Structure
CAS
2438-05-3
Category
Heterocyclic Organic Compound
IUPAC Name
4-propylbenzoic acid
Molecular Weight
164.2
Molecular Formula
C10H12O2
Canonical SMILES
CCCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChI Key
ATZHGRNFEFVDDJ-UHFFFAOYSA-N
Boiling Point
288.61 ºC
Melting Point
142-144 ºC
Density
1.067 g/ml
Appearance
White to yellow needles or crystalline powder
Complexity
146
Covalently-Bonded Unit Count
1
Exact Mass
164.08373g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
12
LogP
3.42 (LogP)
Monoisotopic Mass
164.08373g/mol
NSC Number
168993
Rotatable Bond Count
3
UNII
3P1V85E45O
XLogP3
3.4
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