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Home > Other Building Blocks > 138591-01-2
138591-01-2 | 9(10H)-Anthracenone, 1-hydroxy-8-methoxy-
CAS No: 138591-01-2 Catalog No: AG0018TF MDL No:
Product Description
Catalog Number:
AG0018TF
Chemical Name:
9(10H)-Anthracenone, 1-hydroxy-8-methoxy-
CAS Number:
138591-01-2
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
IUPAC Name:
1-hydroxy-8-methoxy-10H-anthracen-9-one
InChI:
InChI=1S/C15H12O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h2-7,16H,8H2,1H3
InChI Key:
KXNCIFRRMSGNPW-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1c(C2)cccc1O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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