2,3-Dimethoxybenzyl alcohol - CAS 5653-67-8

Catalog:	BB029392
Product Name:	2,3-Dimethoxybenzyl alcohol
CAS:	5653-67-8
Synonyms:	(2,3-dimethoxyphenyl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2,3-dimethoxyphenyl)methanol
Description:	2,3-Dimethoxybenzyl alcohol (CAS# 5653-67-8) is a substituted benzaldehyde, which has been shown to have Antimicrobial activity.
Molecular Weight:	168.19
Molecular Formula:	C9H12O3
Canonical SMILES:	COC1=CC=CC(=C1OC)CO
InChI:	InChI=1S/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3
InChI Key:	CRLBBOBKCLYCJK-UHFFFAOYSA-N
Boiling Point:	138-142 °C (10 mmHg)
Melting Point:	48-51 °C
Purity:	95 %
Density:	1.111 g/cm³
Appearance:	White to light beige crystalline solid
Storage:	Refrigerator
LogP:	1.19610

Publication Number	Title	Priority Date
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Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.078644241
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1