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204926-13-6 | 2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl-, (3S)-
CAS No: 204926-13-6 Catalog No: AG0029RC MDL No:
Product Description
Catalog Number:
AG0029RC
Chemical Name:
2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl-, (3S)-
CAS Number:
204926-13-6
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
(3S)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChI Key:
BSDVKBWLRCKPFB-ZETCQYMHSA-N
SMILES:
C[C@H]1COc2c(N1)cccc2
UNII:
2CFJ1D4554
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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