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Home > Indoles and Oxindole > 174392-23-5
174392-23-5 | 1H-Isoindol-1-one, 2,3-dihydro-3-methyl-, (3S)-
CAS No: 174392-23-5 Catalog No: AG007UHA MDL No:
Product Description
Catalog Number:
AG007UHA
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-methyl-, (3S)-
CAS Number:
174392-23-5
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
(3S)-3-methyl-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)/t6-/m0/s1
InChI Key:
VNPWIDIVQOFLQS-LURJTMIESA-N
SMILES:
O=C1N[C@H](c2c1cccc2)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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