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113439-61-5 | 1,3-Benzodioxole, 2-(1-methylethoxy)-
CAS No: 113439-61-5 Catalog No: AG0008LH MDL No:
Product Description
Catalog Number:
AG0008LH
Chemical Name:
1,3-Benzodioxole, 2-(1-methylethoxy)-
CAS Number:
113439-61-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-propan-2-yloxy-1,3-benzodioxole
InChI:
InChI=1S/C10H12O3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7,10H,1-2H3
InChI Key:
CGURCMDLNRJZGM-UHFFFAOYSA-N
SMILES:
CC(OC1Oc2c(O1)cccc2)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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