4-Hydroxybenzoic Acid

CAT: 1489-H8800-02Size: 500 gDry Ice: NoHazardous: No

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CAT#:1489-H8800-02Size:500 g

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CAS Number

99-96-7

Purity

≥99.0%

Chemical Information

4-Hydroxybenzoic Acid

4-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. It has a role as a plant metabolite and an algal metabolite. It is a conjugate acid of a 4-hydroxybenzoate.

CAS Number	99-96-7
PubChem CID	135
IUPAC Name	4-hydroxybenzoic acid
Molecular Formula	C7H6O3
Molecular Weight	138.12
XLogP	1.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

InChIKey

FJKROLUGYXJWQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-96-7

CID: 135

Formula: C7H6O3

MW: 138.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.031694049
Monoisotopic Mass	138.031694049
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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
B7870-500	4-Hydroxybenzoic acid
T203718-01	4-Hydroxybenzoic acid-d4
HY-Y0264S2-01	4-Hydroxybenzoic acid-13c
HY-Y0264S-01	4-Hydroxybenzoic acid-13C6
HY-Y0264R-01	4-Hydroxybenzoic acid (Standard)

4-Hydroxybenzoic Acid

Chemical Information

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