3-Hydroxybenzaldehyde 98% For Synthesis

CAT: 1507-1405C 00500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-1405C 00500Size:500 mg

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CAS Number

100-83-4

HSN Code

29124999

Chemical Information

3-Hydroxybenzaldehyde

3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

CAS Number	100-83-4
PubChem CID	101
IUPAC Name	3-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	101

SMILES

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

InChI

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

InChIKey

IAVREABSGIHHMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-83-4

CID: 101

Formula: C7H6O2

MW: 122.12

Interactive 3D Structure

Loading 3D structure...

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	101
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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