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Home > Indoles and Oxindole > 89130-84-7
89130-84-7 | 1H-Isoindol-1-one, 2,3-dihydro-3-imino-2-methyl-, (Z)-
CAS No: 89130-84-7 Catalog No: AG003XO1 MDL No:
Product Description
Catalog Number:
AG003XO1
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-imino-2-methyl-, (Z)-
CAS Number:
89130-84-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
3-imino-2-methylisoindol-1-one
InChI:
InChI=1S/C9H8N2O/c1-11-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,10H,1H3
InChI Key:
GFABAQPPBNQVFI-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=N)N1C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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