2-Methyl-1,3-benzodioxole - CAS 14046-39-0

Catalog:	BB063804
Product Name:	2-Methyl-1,3-benzodioxole
CAS:	14046-39-0
Synonyms:	2-Methyl-2H-1,3-benzodioxole; 2-Methylbenzo[d][1,3]dioxole; 1,2-(Ethylidenedioxy)-benzene

Technical Data

Computed Properties

IUPAC Name:	2-methyl-1,3-benzodioxole
Description:	2-Methyl-1,3-benzodioxole has shown to have anti-microbial and antioxidant activity.
Molecular Weight:	136.15
Molecular Formula:	C8H8O2
Canonical SMILES:	CC1OC2=CC=CC=C2O1
InChI:	InChI=1S/C8H8O2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-6H,1H3
InChI Key:	AYEXQFUNWFFKAP-UHFFFAOYSA-N
References:	Isobe, T., Bokin Bobai, 13, 495-499, (1985); Isobe, T., et.al., Yukagaku, 34, 349-351, (1985).

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Complexity:	110
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2