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89433-24-9 | 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-hydroxy-4-(1-methylethyl)-
CAS No: 89433-24-9 Catalog No: AG00443L MDL No:
Product Description
Catalog Number:
AG00443L
Chemical Name:
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-hydroxy-4-(1-methylethyl)-
CAS Number:
89433-24-9
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
6-hydroxy-4-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one
InChI:
InChI=1S/C11H13NO3/c1-6(2)10-8-5-7(13)3-4-9(8)12-11(14)15-10/h3-6,10,13H,1-2H3,(H,12,14)
InChI Key:
YLBIYFFDQQTINX-UHFFFAOYSA-N
SMILES:
O=C1OC(C(C)C)c2c(N1)ccc(c2)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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