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30310-41-9 | 2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CAS No: 30310-41-9 Catalog No: AG002ZMD MDL No:
Product Description
Catalog Number:
AG002ZMD
Chemical Name:
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CAS Number:
30310-41-9
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2-methyl-4-methylidene-6-phenyloxane
InChI:
InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3
InChI Key:
GXXCNAPXUOUUFX-UHFFFAOYSA-N
SMILES:
CC1OC(CC(=C)C1)c1ccccc1
EC Number:
250-124-6
Properties
Complexity:
203
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:
2.8
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