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Phenyl 4-Hydroxybenzoate

CAT: 0572-TRC-P335330-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P335330-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17696-62-7
Synonyms
4-(Phenoxycarbonyl)phenol; 4-Hydroxybenzoic Acid Phenyl Ester; Phenyl 4-Hydroxybenzoate; Phenyl p-Hydroxybenzoatep-Hydroxybenzoic Acid Phenyl Ester
Hazard Statement
Causes skin irritation.
Smiles
C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)O
Molecular Formula
C13H10O3
Molecular Weight
214.22
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phenylparaben
CAS Number17696-62-7
PubChem CID87250
IUPAC Namephenyl 4-hydroxybenzoate
Molecular FormulaC13H10O3
Molecular Weight214.22
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity225
SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H10O3/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,14H
InChIKey
GJLNWLVPAHNBQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylparaben
CAS: 17696-62-7
CID: 87250
Formula: C13H10O3
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass214.062994177
Monoisotopic Mass214.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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N650352Nonyl 4-Hydroxybenzoate-d4
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Alternative Products

CatalogName
FP62003-01Phenyl 4-hydroxybenzoate
HY-W014224RPhenyl 4-hydroxybenzoate (Standard)
FP66131-01Phenyl 3-hydroxybenzoate
RG-P080517-01Phenyl 2-Hydroxybenzoate
P12660-01Phenyl-p-hydroxybenzoate 97%
AR-B06768-01Methyl 3- (((4- (ethoxycarbonyl) phenyl) amino) methyl) -4-Hydroxybenzoate
RG-M010600-012- (Methoxycarbonyl) Phenyl 2-Hydroxybenzoate
OR0704Phenyl 3,5-dibromo-2-hydroxybenzoate
420716-012,6-Dibromo-4- (2-ethylbenzofuran-3-carbonyl) phenyl 3,5-Dibromo-4-hydroxybenzoate
AL BW 0325-01[4-[4- (aminomethyl) phenyl]phenyl]methanamine

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