Butyl-4-Hydroxybenzoate Extra Pure

CAT: 1442-1022000 500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1442-1022000 500Size:500 mg

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CAS Number

94-26-8

Molecular Formula

HOC6H4CO2 (CH2) 3CH3

Molecular Weight

194.23

HSN Code

29182990

Chemical Information

Butylparaben

Butylparaben is an organic molecular entity.

CAS Number	94-26-8
PubChem CID	7184
IUPAC Name	butyl 4-hydroxybenzoate
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	3.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	171

SMILES

CCCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

InChIKey

QFOHBWFCKVYLES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94-26-8

CID: 7184

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171
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
1161850 25	Propyl-4-Hydroxybenzoate Extra Pure
1161850 500	Propyl-4-Hydroxybenzoate Extra Pure
1161850 5	Propyl-4-Hydroxybenzoate Extra Pure
113920 50	Methyl-p-Hydroxybenzoate Extra Pure
113920 5	Methyl-p-Hydroxybenzoate Extra Pure
113920 25	Methyl-p-Hydroxybenzoate Extra Pure
1161860 500	Propyl-4-Hydroxybenzoate Sodium Salt Extra Pure
113920 500	Methyl-p-Hydroxybenzoate Extra Pure
1161860 50	Propyl-4-Hydroxybenzoate Sodium Salt Extra Pure
1161860 25	Propyl-4-Hydroxybenzoate Sodium Salt Extra Pure

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