Heptyl Parahydroxybenzoate

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CAT#:1596-AR-P01181-01Size:10 Units

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CAS Number

1085-12-7

Synonyms

Heptyl 4-hydroxybenzoate; 4-Hydroxy-benzoic Acid Heptyl Ester; p-Hydroxy-benzoic Acid Heptyl Ester; Heptyl 4-Hydroxybenzoate; Heptyl p-Hydroxybenzoate; Heptyl Paraben; NSC 309818; Nipaheptyl; Staypro WS 7; n-Heptyl p-Hydroxybenzoate

Molecular Formula

C14H20O3

Molecular Weight

236.31

API Name

Paraben

Chemical Information

Heptyl p-hydroxybenzoate

Heptyl p-hydroxybenzoate is a benzoate ester.

CAS Number	1085-12-7
PubChem CID	14138
IUPAC Name	heptyl 4-hydroxybenzoate
Molecular Formula	C14H20O3
Molecular Weight	236.31
XLogP	4.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	17
Formal Charge	0
Complexity	208

SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

InChIKey

ZTJORNVITHUQJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1085-12-7

CID: 14138

Formula: C14H20O3

MW: 236.31

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	236.31
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	236.14124450
Monoisotopic Mass	236.14124450
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	208
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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Alternative Products

Catalog	Name
TMID-0251-01	Ethyl parahydroxybenzoate-d4
459135	N-Heptyl 2-Heptyl Phthalate
RG-P181503-01	Sodium Ethyl Parahydroxybenzoate EP Impurity C
TRC-D414900-100MG	Dialkyl Phthalate (Alkyl= Heptyl:Heptyl, Nonyl:Nonyl, Undecyl:Undecyl, Heptyl:Nonyl, Heptyl:Undecyl,
459136	N-Heptyl 2-Heptyl Phthalate-d4
RM-S150900-01	Sodium ethyl parahydroxybenzoate discontinued seeRG-E200808
TRC-H295730-100MG	Heptyl chloroformate
TN6701	Heptyl acetate
sc-228276	Heptyl cyanide
OR1064317-01	Heptyl cinnamate

Heptyl Parahydroxybenzoate

Chemical Information

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