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88631-94-1 | 1,3-Benzodioxol-5-ol, 4-methyl-7-(1-methylethyl)-
CAS No: 88631-94-1 Catalog No: AG004A7F MDL No:
Product Description
Catalog Number:
AG004A7F
Chemical Name:
1,3-Benzodioxol-5-ol, 4-methyl-7-(1-methylethyl)-
CAS Number:
88631-94-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
4-methyl-7-propan-2-yl-1,3-benzodioxol-5-ol
InChI:
InChI=1S/C11H14O3/c1-6(2)8-4-9(12)7(3)10-11(8)14-5-13-10/h4,6,12H,5H2,1-3H3
InChI Key:
SQOZIIXZDTVMIV-UHFFFAOYSA-N
SMILES:
CC(c1cc(O)c(c2c1OCO2)C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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