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122849-64-3 | 1-Naphthalenol, 5,6,8-trimethoxy-3-methyl-
CAS No: 122849-64-3 Catalog No: AG000JKS MDL No:
Product Description
Catalog Number:
AG000JKS
Chemical Name:
1-Naphthalenol, 5,6,8-trimethoxy-3-methyl-
CAS Number:
122849-64-3
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
5,6,8-trimethoxy-3-methylnaphthalen-1-ol
InChI:
InChI=1S/C14H16O4/c1-8-5-9-13(10(15)6-8)11(16-2)7-12(17-3)14(9)18-4/h5-7,15H,1-4H3
InChI Key:
UKZYWCSUFSJVPQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1OC)cc(cc2O)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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