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1026692-54-5 | 4H-Pyran-4-one, tetrahydro-2-(4-methoxyphenyl)-
CAS No: 1026692-54-5 Catalog No: AG00081R MDL No:MFCD19650726
Product Description
Catalog Number:
AG00081R
Chemical Name:
4H-Pyran-4-one, tetrahydro-2-(4-methoxyphenyl)-
CAS Number:
1026692-54-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD19650726
IUPAC Name:
2-(4-methoxyphenyl)oxan-4-one
InChI:
InChI=1S/C12H14O3/c1-14-11-4-2-9(3-5-11)12-8-10(13)6-7-15-12/h2-5,12H,6-8H2,1H3
InChI Key:
DADYYFMMZDWEEQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1OCCC(=O)C1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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