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124931-49-3 | 2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-, (2R,6S)-rel-
CAS No: 124931-49-3 Catalog No: AG000MWH MDL No:
Product Description
Catalog Number:
AG000MWH
Chemical Name:
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-, (2R,6S)-rel-
CAS Number:
124931-49-3
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
4,6-dimethyl-2-phenyl-3,6-dihydro-2H-pyran
InChI:
InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3
InChI Key:
SQVJYNSGAXORSQ-UHFFFAOYSA-N
SMILES:
CC1=C[C@H](C)O[C@H](C1)c1ccccc1
EC Number:
268-257-3
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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