N-Dodecyl 4-Hydroxybenzoate

CAT: 0127-OR1014342Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1014342Size:25 g

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CAS Number

2664-60-0

MDL Number

MFCD00016473

Purity

98%

Smiles

CCCCCCCCCCCCOC(=O)c1ccc(O)cc1

Chemical Information

Benzoic acid, 4-hydroxy-, dodecyl ester

CAS Number	2664-60-0
PubChem CID	17569
IUPAC Name	dodecyl 4-hydroxybenzoate
Molecular Formula	C19H30O3
Molecular Weight	306.4
XLogP	7.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	13
Heavy Atom Count	22
Formal Charge	0
Complexity	270

SMILES

CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3

InChIKey

BAYSQTBAJQRACX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2664-60-0

CID: 17569

Formula: C19H30O3

MW: 306.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.4
XLogP3	7.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	13
Exact Mass	306.21949481
Monoisotopic Mass	306.21949481
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	270
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
OR1079304-01	Nonyl 4-Hydroxybenzoate
OR1079299-01	Heptyl 4-Hydroxybenzoate
OR931176-01	Isobutyl 4-hydroxybenzoate
OR27715-01	Hexyl 4-hydroxybenzoate
BII106	Succinimidyl-4-hydroxybenzoate
OR937186-01	Butyl 4-hydroxybenzoate
OR1011593-01	4-Methoxyphenyl 4-Hydroxybenzoate
OR0863-01	Phenyl 4-hydroxybenzoate
OR1038329-01	Decyl 4-hydroxybenzoate
OR923091-01	Ethyl 4-hydroxybenzoate

Catalog	Name
sc-269829	N-Dodecyl 4-hydroxybenzoate
FP64887-01	N-Pentyl 4-hydroxybenzoate
FP63482-01	N-Propyl-4-hydroxybenzoate
TRC-H283180-100G	n-Heptyl 4-Hydroxybenzoate
TRC-O148473-100MG	N-Octyl 4-Hydroxybenzoate
AR-P01188-01	N-Butyl-4-Hydroxybenzoate
HY-W150053S	N-Octyl 4-hydroxybenzoate-d4
TRC-B345000-50MG	N-Biotinylcaproic Methyl 4-Hydroxybenzoate
TRC-H283182-10MG	n-Heptyl 4-hydroxybenzoate-d4
MBS5825527	n-Dodecyl-N