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Home > Indoles and Oxindole > 97529-93-6
97529-93-6 | 1H-Isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-3a,7a-dimethyl-, cis-
CAS No: 97529-93-6 Catalog No: AG00H8CQ MDL No:
Product Description
Catalog Number:
AG00H8CQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-3a,7a-dimethyl-, cis-
CAS Number:
97529-93-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
2-hydroxy-3a,7a-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C10H15NO3/c1-9-5-3-4-6-10(9,2)8(13)11(14)7(9)12/h14H,3-6H2,1-2H3
InChI Key:
CFNMBEHDNHIDNS-UHFFFAOYSA-N
SMILES:
ON1C(=O)[C@]2([C@](C1=O)(C)CCCC2)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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