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113476-63-4 | Phenanthrene, 2,3,4,7,9-pentamethoxy-
CAS No: 113476-63-4 Catalog No: AG0008PO MDL No:
Product Description
Catalog Number:
AG0008PO
Chemical Name:
Phenanthrene, 2,3,4,7,9-pentamethoxy-
CAS Number:
113476-63-4
Molecular Formula:
C19H20O5
Molecular Weight:
328.3591
IUPAC Name:
2,3,4,7,9-pentamethoxyphenanthrene
InChI:
InChI=1S/C19H20O5/c1-20-12-6-7-13-14(10-12)15(21-2)8-11-9-16(22-3)18(23-4)19(24-5)17(11)13/h6-10H,1-5H3
InChI Key:
DKNGVACRFHEWBZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(OC)cc1c2c(OC)c(c(c1)OC)OC
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.364g/mol
Monoisotopic Mass:
328.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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