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71472-54-3 | 2H-1,4-Benzoxazine, 4-benzoyl-3,4-dihydro-6-methyl-
CAS No: 71472-54-3 Catalog No: AG005HRK MDL No:
Product Description
Catalog Number:
AG005HRK
Chemical Name:
2H-1,4-Benzoxazine, 4-benzoyl-3,4-dihydro-6-methyl-
CAS Number:
71472-54-3
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-phenylmethanone
InChI:
InChI=1S/C16H15NO2/c1-12-7-8-15-14(11-12)17(9-10-19-15)16(18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChI Key:
GIKORZDOPJPHSE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)N(CCO2)C(=O)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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