4- (Hexadecyloxy) benzoic acid

CAT: 0127-OR1033941-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033941-01Size:100 mg

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CAS Number

15872-48-7

Purity

98%

Smiles

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

Chemical Information

4-Hexadecyloxybenzoic acid

CAS Number	15872-48-7
PubChem CID	259635
IUPAC Name	4-hexadecoxybenzoic acid
Molecular Formula	C23H38O3
Molecular Weight	362.5
XLogP	9.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	26
Formal Charge	0
Complexity	321

SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25/h16-19H,2-15,20H2,1H3,(H,24,25)

InChIKey

GAQCVRTXIAGNEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15872-48-7

CID: 259635

Formula: C23H38O3

MW: 362.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	9.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	362.28209507
Monoisotopic Mass	362.28209507
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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