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71779-56-1 | 9-Phenanthrenecarboxaldehyde, 2,3,6,7-tetramethoxy-
CAS No: 71779-56-1 Catalog No: AG005PX9 MDL No:
Product Description
Catalog Number:
AG005PX9
Chemical Name:
9-Phenanthrenecarboxaldehyde, 2,3,6,7-tetramethoxy-
CAS Number:
71779-56-1
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
2,3,6,7-tetramethoxyphenanthrene-9-carbaldehyde
InChI:
InChI=1S/C19H18O5/c1-21-16-6-11-5-12(10-20)14-8-18(23-3)19(24-4)9-15(14)13(11)7-17(16)22-2/h5-10H,1-4H3
InChI Key:
HXHVOQSXJBESSZ-UHFFFAOYSA-N
SMILES:
COc1cc2cc(C=O)c3c(c2cc1OC)cc(c(c3)OC)OC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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