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26345-15-3 | 1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-
CAS No: 26345-15-3 Catalog No: AG002STV MDL No:MFCD18427848
Product Description
Catalog Number:
AG002STV
Chemical Name:
1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-
CAS Number:
26345-15-3
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD18427848
IUPAC Name:
5,6,7,8-tetrahydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H11NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h5-6H,1-4H2,(H,10,11)
InChI Key:
BSSAYGWMFGXIPF-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1CCCC2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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