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141233-70-7 | 1,4-Naphthalenediol, 5,6,8-trimethoxy-
CAS No: 141233-70-7 Catalog No: AG001G4H MDL No:
Product Description
Catalog Number:
AG001G4H
Chemical Name:
1,4-Naphthalenediol, 5,6,8-trimethoxy-
CAS Number:
141233-70-7
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
IUPAC Name:
5,6,8-trimethoxynaphthalene-1,4-diol
InChI:
InChI=1S/C13H14O5/c1-16-9-6-10(17-2)13(18-3)12-8(15)5-4-7(14)11(9)12/h4-6,14-15H,1-3H3
InChI Key:
KKRPIOYXMMTTEX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1OC)c(O)ccc2O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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