4-Hydroxybenzaldehyde 98% For Synthesis

CAT: 1507-01407 00500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-01407 00500Size:500 mg

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CAS Number

123-08-0

Chemical Information

4-Hydroxybenzaldehyde

4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor, a mouse metabolite and a plant metabolite.

CAS Number	123-08-0
PubChem CID	126
IUPAC Name	4-hydroxybenzaldehyde
Molecular Formula	C7H6O2
Molecular Weight	122.12
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	93

SMILES

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

InChI

InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

InChIKey

RGHHSNMVTDWUBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-08-0

CID: 126

Formula: C7H6O2

MW: 122.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	122.12
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	122.036779430
Monoisotopic Mass	122.036779430
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	93.1
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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4-Hydroxybenzaldehyde 98% For Synthesis

Chemical Information

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