3-(Hydroxymethyl)benzaldehyde - CAS 52010-98-7

Catalog:	BB027683
Product Name:	3-(Hydroxymethyl)benzaldehyde
CAS:	52010-98-7
Synonyms:	3-(hydroxymethyl)benzaldehyde; 3-(hydroxymethyl)benzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(hydroxymethyl)benzaldehyde
Description:	3-(Hydroxymethyl)benzaldehyde (CAS# 52010-98-7) is a useful research chemical.
Molecular Weight:	136.15
Molecular Formula:	C8H8O2
Canonical SMILES:	C1=CC(=CC(=C1)CO)C=O
InChI:	InChI=1S/C8H8O2/c9-5-7-2-1-3-8(4-7)6-10/h1-5,10H,6H2
InChI Key:	CDNQOMJEQKBLBN-UHFFFAOYSA-N
Boiling Point:	282 °C
Density:	1.184 g/cm³
LogP:	0.99140

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Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.052429494
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8