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174522-68-0 | 2H-1,3-Benzoxazine, 3,4-dihydro-3-phenyl-8-(2-propen-1-yl)-
CAS No: 174522-68-0 Catalog No: AG001ZRG MDL No:
Product Description
Catalog Number:
AG001ZRG
Chemical Name:
2H-1,3-Benzoxazine, 3,4-dihydro-3-phenyl-8-(2-propen-1-yl)-
CAS Number:
174522-68-0
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
3-phenyl-8-prop-2-enyl-2,4-dihydro-1,3-benzoxazine
InChI:
InChI=1S/C17H17NO/c1-2-7-14-8-6-9-15-12-18(13-19-17(14)15)16-10-4-3-5-11-16/h2-6,8-11H,1,7,12-13H2
InChI Key:
GKFPWCFVNUWUSQ-UHFFFAOYSA-N
SMILES:
C=CCc1cccc2c1OCN(C2)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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