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150502-45-7 | 1,3-Benzodioxole-5-methanol, 7-hydroxy-
CAS No: 150502-45-7 Catalog No: AG001MO9 MDL No:
Product Description
Catalog Number:
AG001MO9
Chemical Name:
1,3-Benzodioxole-5-methanol, 7-hydroxy-
CAS Number:
150502-45-7
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
IUPAC Name:
6-(hydroxymethyl)-1,3-benzodioxol-4-ol
InChI:
InChI=1S/C8H8O4/c9-3-5-1-6(10)8-7(2-5)11-4-12-8/h1-2,9-10H,3-4H2
InChI Key:
AIYCYODHXFCZMR-UHFFFAOYSA-N
SMILES:
OCc1cc(O)c2c(c1)OCO2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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