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15809-22-0 | 2,4-Pentanedione, 3-[(2-hydroxyphenyl)methylene]-
CAS No: 15809-22-0 Catalog No: AG001PZN MDL No:
Product Description
Catalog Number:
AG001PZN
Chemical Name:
2,4-Pentanedione, 3-[(2-hydroxyphenyl)methylene]-
CAS Number:
15809-22-0
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
3-[(2-hydroxyphenyl)methylidene]pentane-2,4-dione
InChI:
InChI=1S/C12H12O3/c1-8(13)11(9(2)14)7-10-5-3-4-6-12(10)15/h3-7,15H,1-2H3
InChI Key:
DDMYUHBSCSXTAY-UHFFFAOYSA-N
SMILES:
CC(=O)C(=Cc1ccccc1O)C(=O)C
NSC Number:
78749
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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