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122849-65-4 | 1-Naphthalenol, 5,6,8-trimethoxy-3-methyl-, 1-acetate
CAS No: 122849-65-4 Catalog No: AG000JKR MDL No:
Product Description
Catalog Number:
AG000JKR
Chemical Name:
1-Naphthalenol, 5,6,8-trimethoxy-3-methyl-, 1-acetate
CAS Number:
122849-65-4
Molecular Formula:
C16H18O5
Molecular Weight:
290.3111
IUPAC Name:
acetic acid;5,6,8-trimethoxy-3-methylnaphthalen-1-ol
InChI:
InChI=1S/C14H16O4.C2H4O2/c1-8-5-9-13(10(15)6-8)11(16-2)7-12(17-3)14(9)18-4;1-2(3)4/h5-7,15H,1-4H3;1H3,(H,3,4)
InChI Key:
STFOUBLULDMESJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c2c1c(OC(=O)C)cc(c2)C)OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.33g/mol
Monoisotopic Mass:
308.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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