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1127-74-8 | 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
CAS No: 1127-74-8 Catalog No: AG003DA6 MDL No:MFCD03426404
Product Description
Catalog Number:
AG003DA6
Chemical Name:
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
CAS Number:
1127-74-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD03426404
IUPAC Name:
1,2,3,4-tetrahydro-1-benzazepin-5-one
InChI:
InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChI Key:
NKRKBYFBKLDCFB-UHFFFAOYSA-N
SMILES:
O=C1CCCNc2c1cccc2
NSC Number:
163836
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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