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18931-06-1 | 1H-Phenalen-1-one, 2-acetyl-3-hydroxy-
CAS No: 18931-06-1 Catalog No: AG002I9I MDL No:MFCD00204497
Product Description
Catalog Number:
AG002I9I
Chemical Name:
1H-Phenalen-1-one, 2-acetyl-3-hydroxy-
CAS Number:
18931-06-1
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
MDL Number:
MFCD00204497
IUPAC Name:
2-(1-hydroxyethylidene)phenalene-1,3-dione
InChI:
InChI=1S/C15H10O3/c1-8(16)12-14(17)10-6-2-4-9-5-3-7-11(13(9)10)15(12)18/h2-7,16H,1H3
InChI Key:
DHDJMIGJAJLHTO-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(O)c2cccc3c2c(C1=O)ccc3
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.242g/mol
Monoisotopic Mass:
238.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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