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14049-41-3 | 1,3-Benzodioxole, 2-ethyl-2-methyl-
CAS No: 14049-41-3 Catalog No: AG001CJP MDL No:
Product Description
Catalog Number:
AG001CJP
Chemical Name:
1,3-Benzodioxole, 2-ethyl-2-methyl-
CAS Number:
14049-41-3
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
2-ethyl-2-methyl-1,3-benzodioxole
InChI:
InChI=1S/C10H12O2/c1-3-10(2)11-8-6-4-5-7-9(8)12-10/h4-7H,3H2,1-2H3
InChI Key:
AATQNQRLPHKUQY-UHFFFAOYSA-N
SMILES:
CCC1(C)Oc2c(O1)cccc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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