4-n-Octyloxybenzoic Acid

CAT: 0926-FO61813-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FO61813-01Size:100 g

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CAS Number

2493-84-7

MDL Number

MFCD00013993

Smiles

CCCCCCCCOC1=CC=C (C=C1) C (=O) O

Molecular Formula

C15H22O3

Molecular Weight

250.33 g/mol

Controlled

Chemical Information

4-(Octyloxy)benzoic acid

4-(octyloxy)benzoic acid is a member of benzoic acids.

CAS Number	2493-84-7
PubChem CID	17231
IUPAC Name	4-octoxybenzoic acid
Molecular Formula	C15H22O3
Molecular Weight	250.33
XLogP	5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	18
Formal Charge	0
Complexity	220

SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)

InChIKey

IALWCYFULVHLEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2493-84-7

CID: 17231

Formula: C15H22O3

MW: 250.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.33
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	250.15689456
Monoisotopic Mass	250.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	220
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

Catalog	Name
FH56804-01	4-n-Hexylbenzoic acid
FB67351-01	4-N-Butoxycinnamic acid
FD70165-01	4- (N, N-Diethylamino) cinnamic acid
FD71365-01	4- (N, N-Diethylamino) benzoic acid
BBA96199-01	4- (N-methylacetamido) benzoic acid
FF81397-01	N- (4-Fluorophenyl) Anthranilic Acid
FF11398-01	4- (N-Formylmethylamino) benzoic acid
SEA70499-01	4- (N-Methylacetamido) butanoic acid
IFA99705-01	4- (n-Octyl) benzeneboronic acid
FA17083-01	N-Acetyl-4-aminosalicylic acid

Catalog	Name
sc-267689	4-n-Octyloxybenzoic acid
sc-299045	3-Fluoro-4-n-octyloxybenzoic acid
PC8227	2-Fluoro-4-octyloxybenzoic acid
O02107	P-Octyloxybenzoic Acid 95%
433221-01	4-N-Heptylphenylboronic acid
433218-01	4-N-Butylphenylboronic acid
287532-01	4-n-Propylbenzoic acid
TRC-B692328-250MG	4-n-Butoxybenzoic Acid
abx185815-01	4-N-Pentylbenzeneboronic Acid
sc-277565	4-n-Heptylbenzoic acid