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116366-08-6 | 10H-Phenoxazine, 1-butyl-
CAS No: 116366-08-6 Catalog No: AG000CB5 MDL No:
Product Description
Catalog Number:
AG000CB5
Chemical Name:
10H-Phenoxazine, 1-butyl-
CAS Number:
116366-08-6
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
1-butyl-10H-phenoxazine
InChI:
InChI=1S/C16H17NO/c1-2-3-7-12-8-6-11-15-16(12)17-13-9-4-5-10-14(13)18-15/h4-6,8-11,17H,2-3,7H2,1H3
InChI Key:
DKCCPVNLKOGFPF-UHFFFAOYSA-N
SMILES:
CCCCc1cccc2c1Nc1ccccc1O2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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