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158848-26-1 | 4-Phenanthrenecarboxylic acid, 2,5-dihydroxy-6,7-dimethoxy-
CAS No: 158848-26-1 Catalog No: AG001QYJ MDL No:
Product Description
Catalog Number:
AG001QYJ
Chemical Name:
4-Phenanthrenecarboxylic acid, 2,5-dihydroxy-6,7-dimethoxy-
CAS Number:
158848-26-1
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
2,5-dihydroxy-6,7-dimethoxyphenanthrene-4-carboxylic acid
InChI:
InChI=1S/C17H14O6/c1-22-12-6-9-4-3-8-5-10(18)7-11(17(20)21)13(8)14(9)15(19)16(12)23-2/h3-7,18-19H,1-2H3,(H,20,21)
InChI Key:
NIBUFVBDSYMAKU-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc2c(c1O)c1c(cc2)cc(cc1C(=O)O)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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