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31053-30-2 | 1,4-Isoquinolinedione, 2,3-dihydro-
CAS No: 31053-30-2 Catalog No: AG00320N MDL No:MFCD13179340
Product Description
Catalog Number:
AG00320N
Chemical Name:
1,4-Isoquinolinedione, 2,3-dihydro-
CAS Number:
31053-30-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD13179340
IUPAC Name:
2,3-dihydroisoquinoline-1,4-dione
InChI:
InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4H,5H2,(H,10,12)
InChI Key:
WRRHHSIPJQOVJM-UHFFFAOYSA-N
SMILES:
O=C1NCC(=O)c2c1cccc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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