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Home > Indoles and Oxindole > 871888-22-1
871888-22-1 | 3-HYDROXY-7-METHYL-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS No: 871888-22-1 Catalog No: AG01BUDB MDL No:MFCD14631806
Product Description
Catalog Number:
AG01BUDB
Chemical Name:
3-HYDROXY-7-METHYL-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS Number:
871888-22-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD14631806
IUPAC Name:
3-hydroxy-7-methyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H9NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4,8,11H,1H3,(H,10,12)
InChI Key:
XRSAYHLEVCFMLE-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1O)cccc2C
Properties
Complexity:
205
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:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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