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16891-80-8 | 2H-Pyran-3-methanol, 5,6-dihydro-α-(phenylmethyl)-
CAS No: 16891-80-8 Catalog No: AG001YDS MDL No:
Product Description
Catalog Number:
AG001YDS
Chemical Name:
2H-Pyran-3-methanol, 5,6-dihydro-α-(phenylmethyl)-
CAS Number:
16891-80-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
1-(3,6-dihydro-2H-pyran-5-yl)-2-phenylethanol
InChI:
InChI=1S/C13H16O2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-3,5-7,13-14H,4,8-10H2
InChI Key:
RQCMEGSOOZSUIE-UHFFFAOYSA-N
SMILES:
OC(C1=CCCOC1)Cc1ccccc1
EC Number:
240-928-5
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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