200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 147914-13-4
147914-13-4 | Benz[a]anthracene-7,12-dione, 1-hydroxy-3-(hydroxymethyl)-8-methoxy-
CAS No: 147914-13-4 Catalog No: AG001F9T MDL No:
Product Description
Catalog Number:
AG001F9T
Chemical Name:
Benz[a]anthracene-7,12-dione, 1-hydroxy-3-(hydroxymethyl)-8-methoxy-
CAS Number:
147914-13-4
Molecular Formula:
C20H14O5
Molecular Weight:
334.3222
IUPAC Name:
1-hydroxy-3-(hydroxymethyl)-8-methoxybenzo[a]anthracene-7,12-dione
InChI:
InChI=1S/C20H14O5/c1-25-15-4-2-3-12-17(15)19(23)13-6-5-11-7-10(9-21)8-14(22)16(11)18(13)20(12)24/h2-8,21-22H,9H2,1H3
InChI Key:
IWDFTRSGZDSLDE-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)c(O)cc(c3)CO
NSC Number:
664214
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.327g/mol
Monoisotopic Mass:
334.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.