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832127-86-3 | 1-Naphthalenol, 3-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS No: 832127-86-3 Catalog No: AG004UMN MDL No:
Product Description
Catalog Number:
AG004UMN
Chemical Name:
1-Naphthalenol, 3-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS Number:
832127-86-3
Molecular Formula:
C21H20O4
Molecular Weight:
336.3811
IUPAC Name:
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalen-1-ol
InChI:
InChI=1S/C21H20O4/c1-23-19-12-15(13-20(24-2)21(19)25-3)9-8-14-10-16-6-4-5-7-17(16)18(22)11-14/h4-13,22H,1-3H3
InChI Key:
BCQSECUBQJMYDA-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2cc(O)c3c(c2)cccc3)cc(c1OC)OC
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.387g/mol
Monoisotopic Mass:
336.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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