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2602-31-5 | 2-Naphthacenecarboxamide, 1,3,10,11,12-pentahydroxy-6-methyl-
CAS No: 2602-31-5 Catalog No: AG002REP MDL No:
Product Description
Catalog Number:
AG002REP
Chemical Name:
2-Naphthacenecarboxamide, 1,3,10,11,12-pentahydroxy-6-methyl-
CAS Number:
2602-31-5
Molecular Formula:
C20H15NO6
Molecular Weight:
365.3362
IUPAC Name:
1,3,10,11,12-pentahydroxy-6-methyltetracene-2-carboxamide
InChI:
InChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)
InChI Key:
WBDQDVXPSGTJAV-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(O)cc2c(c1O)c(O)c1c(c2)c(C)c2c(c1O)c(O)ccc2
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
365.341g/mol
Monoisotopic Mass:
365.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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