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144080-38-6 | 4H-3,1-Benzoxazin-4-one, 2-octyl-
CAS No: 144080-38-6 Catalog No: AG001IVW MDL No:
Product Description
Catalog Number:
AG001IVW
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-octyl-
CAS Number:
144080-38-6
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
2-octyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C16H21NO2/c1-2-3-4-5-6-7-12-15-17-14-11-9-8-10-13(14)16(18)19-15/h8-11H,2-7,12H2,1H3
InChI Key:
XZIGNQRPQANWIT-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1nc2ccccc2c(=O)o1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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