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22961-82-6 | 1,3-Benzodioxol-4-ol, 2,2-dimethyl-
CAS No: 22961-82-6 Catalog No: AG002LOQ MDL No:MFCD00667010
Product Description
Catalog Number:
AG002LOQ
Chemical Name:
1,3-Benzodioxol-4-ol, 2,2-dimethyl-
CAS Number:
22961-82-6
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00667010
IUPAC Name:
2,2-dimethyl-1,3-benzodioxol-4-ol
InChI:
InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3
InChI Key:
CSSWBRMYHJVCPZ-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1OC(O2)(C)C
EC Number:
400-900-7
UN Number:
3082
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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