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19301-09-8 | 1H-Benzo[d]azepin-2(3H)-one
CAS No: 19301-09-8 Catalog No: AG003EDF MDL No:MFCD01101239
Product Description
Catalog Number:
AG003EDF
Chemical Name:
1H-Benzo[d]azepin-2(3H)-one
CAS Number:
19301-09-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD01101239
IUPAC Name:
1,3-dihydro-3-benzazepin-2-one
InChI:
InChI=1S/C10H9NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-6H,7H2,(H,11,12)
InChI Key:
WUYVQJOTPXVUIS-UHFFFAOYSA-N
SMILES:
O=C1NC=Cc2c(C1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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