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Home > Indoles and Oxindole > 131615-22-0
131615-22-0 | 1H-Isoindol-1-one, 2,3-dihydro-3-methyl-, (3R)-
CAS No: 131615-22-0 Catalog No: AG000ZHX MDL No:MFCD12924037
Product Description
Catalog Number:
AG000ZHX
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-methyl-, (3R)-
CAS Number:
131615-22-0
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD12924037
IUPAC Name:
(3R)-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-/m1/s1
InChI Key:
VNPWIDIVQOFLQS-ZCFIWIBFSA-N
SMILES:
O=C1N[C@@H](c2c1cccc2)C
UNII:
6X2M6E4W4F
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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