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138370-20-4 | 9-Anthracenol, 1,3,8-trimethoxy-6-methyl-
CAS No: 138370-20-4 Catalog No: AG0018N5 MDL No:
Product Description
Catalog Number:
AG0018N5
Chemical Name:
9-Anthracenol, 1,3,8-trimethoxy-6-methyl-
CAS Number:
138370-20-4
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
1,3,8-trimethoxy-6-methylanthracen-9-ol
InChI:
InChI=1S/C18H18O4/c1-10-5-11-7-12-8-13(20-2)9-15(22-4)17(12)18(19)16(11)14(6-10)21-3/h5-9,19H,1-4H3
InChI Key:
ALZTXUMPWBTBRJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)cc1c(c2O)c(OC)cc(c1)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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