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22246-75-9 | 1-Benzazocin-2(1H)-one, 3,4,5,6-tetrahydro-
CAS No: 22246-75-9 Catalog No: AG007P1J MDL No:MFCD00024152
Product Description
Catalog Number:
AG007P1J
Chemical Name:
1-Benzazocin-2(1H)-one, 3,4,5,6-tetrahydro-
CAS Number:
22246-75-9
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00024152
IUPAC Name:
3,4,5,6-tetrahydro-1H-1-benzazocin-2-one
InChI:
InChI=1S/C11H13NO/c13-11-8-4-2-6-9-5-1-3-7-10(9)12-11/h1,3,5,7H,2,4,6,8H2,(H,12,13)
InChI Key:
LROOVTDSEGKMHC-UHFFFAOYSA-N
SMILES:
O=C1CCCCc2c(N1)cccc2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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