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79422-40-5 | [5,5'-Bi-1,3-benzodioxole]-6,6'-dimethanol
CAS No: 79422-40-5 Catalog No: AG005K3Q MDL No:
Product Description
Catalog Number:
AG005K3Q
Chemical Name:
[5,5'-Bi-1,3-benzodioxole]-6,6'-dimethanol
CAS Number:
79422-40-5
Molecular Formula:
C16H14O6
Molecular Weight:
302.2788
IUPAC Name:
[6-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-1,3-benzodioxol-5-yl]methanol
InChI:
InChI=1S/C16H14O6/c17-5-9-1-13-15(21-7-19-13)3-11(9)12-4-16-14(20-8-22-16)2-10(12)6-18/h1-4,17-18H,5-8H2
InChI Key:
KNNPVLGXUKWPMQ-UHFFFAOYSA-N
SMILES:
OCc1cc2OCOc2cc1c1cc2OCOc2cc1CO
NSC Number:
376731
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.282g/mol
Monoisotopic Mass:
302.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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