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Home > Indoles and Oxindole > 2021-21-8
2021-21-8 | 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-
CAS No: 2021-21-8 Catalog No: AG00282D MDL No:MFCD01735127
Product Description
Catalog Number:
AG00282D
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-
CAS Number:
2021-21-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD01735127
IUPAC Name:
2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,6-7H,4-5H2,1H3
InChI Key:
UAFTWHXBZBAYKV-UHFFFAOYSA-N
SMILES:
CN1C(=O)C2C(C1=O)CC=CC2
EC Number:
217-965-0
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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