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1021-91-6 | 5H-Dibenzo[a,d]cyclohepten-5-one, oxime
CAS No: 1021-91-6 Catalog No: AG0006MH MDL No:MFCD00021100
Product Description
Catalog Number:
AG0006MH
Chemical Name:
5H-Dibenzo[a,d]cyclohepten-5-one, oxime
CAS Number:
1021-91-6
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD00021100
IUPAC Name:
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)hydroxylamine
InChI:
InChI=1S/C15H11NO/c17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,17H
InChI Key:
LRBLEEPNJOPXOB-UHFFFAOYSA-N
SMILES:
ON=c1c2ccccc2ccc2c1cccc2
EC Number:
213-820-0
UNII:
5KB4I4FK3S
NSC Number:
83397
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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