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1167483-18-2 | 4H-Pyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-6-methyl-
CAS No: 1167483-18-2 Catalog No: AG000D5O MDL No:MFCD19441028
Product Description
Catalog Number:
AG000D5O
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-6-methyl-
CAS Number:
1167483-18-2
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD19441028
IUPAC Name:
2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C12H12O3/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-6,12-13H,7H2,1H3
InChI Key:
STTXNQGVHWYOHI-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)OC(C1)c1ccc(cc1)O
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:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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