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27648-85-7 | 1,3-Benzodioxol-4-ol, 2-methoxy-2-methyl-
CAS No: 27648-85-7 Catalog No: AG002UBL MDL No:
Product Description
Catalog Number:
AG002UBL
Chemical Name:
1,3-Benzodioxol-4-ol, 2-methoxy-2-methyl-
CAS Number:
27648-85-7
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
2-methoxy-2-methyl-1,3-benzodioxol-4-ol
InChI:
InChI=1S/C9H10O4/c1-9(11-2)12-7-5-3-4-6(10)8(7)13-9/h3-5,10H,1-2H3
InChI Key:
ISAAPWXFNGXGHI-UHFFFAOYSA-N
SMILES:
COC1(C)Oc2c(O1)cccc2O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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