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Home > Indoles and Oxindole > 612487-61-3
612487-61-3 | 2H-Indol-2-one, 1,3-dihydro-5-(hydroxymethyl)-
CAS No: 612487-61-3 Catalog No: AG00IL1B MDL No:MFCD19596958
Product Description
Catalog Number:
AG00IL1B
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-5-(hydroxymethyl)-
CAS Number:
612487-61-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD19596958
IUPAC Name:
5-(hydroxymethyl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H9NO2/c11-5-6-1-2-8-7(3-6)4-9(12)10-8/h1-3,11H,4-5H2,(H,10,12)
InChI Key:
KFEKDTIWYDGPPQ-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)CC(=O)N2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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