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825595-94-6 | Methanone, [(2S)-3,6-dihydro-4,5-dimethyl-2H-pyran-2-yl]phenyl-
CAS No: 825595-94-6 Catalog No: AG004U74 MDL No:
Product Description
Catalog Number:
AG004U74
Chemical Name:
Methanone, [(2S)-3,6-dihydro-4,5-dimethyl-2H-pyran-2-yl]phenyl-
CAS Number:
825595-94-6
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
[(2S)-4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl]-phenylmethanone
InChI:
InChI=1S/C14H16O2/c1-10-8-13(16-9-11(10)2)14(15)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3/t13-/m0/s1
InChI Key:
UQZTZHZDXPQMPU-ZDUSSCGKSA-N
SMILES:
O=C(c1ccccc1)[C@H]1OCC(=C(C1)C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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