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13157-50-1 | 4H-1,3-Oxazine, 5,6-dihydro-6,6-dimethyl-2-phenyl-
CAS No: 13157-50-1 Catalog No: AG000ZG9 MDL No:
Product Description
Catalog Number:
AG000ZG9
Chemical Name:
4H-1,3-Oxazine, 5,6-dihydro-6,6-dimethyl-2-phenyl-
CAS Number:
13157-50-1
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
6,6-dimethyl-2-phenyl-4,5-dihydro-1,3-oxazine
InChI:
InChI=1S/C12H15NO/c1-12(2)8-9-13-11(14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
VLBRQYCIAYGNES-UHFFFAOYSA-N
SMILES:
CC1(C)CCN=C(O1)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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