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88262-39-9 | 1,2-anthracenediol, 1,2-dihydro-10-(hydroxymethyl)-
CAS No: 88262-39-9 Catalog No: AG004C03 MDL No:
Product Description
Catalog Number:
AG004C03
Chemical Name:
1,2-anthracenediol, 1,2-dihydro-10-(hydroxymethyl)-
CAS Number:
88262-39-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
10-(hydroxymethyl)-1,2-dihydroanthracene-1,2-diol
InChI:
InChI=1S/C15H14O3/c16-8-13-10-4-2-1-3-9(10)7-12-11(13)5-6-14(17)15(12)18/h1-7,14-18H,8H2
InChI Key:
QTLFATFHGLUPJB-UHFFFAOYSA-N
SMILES:
OCc1c2C=CC(C(c2cc2c1cccc2)O)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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