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Home > Indoles and Oxindole > 27742-33-2
27742-33-2 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-
CAS No: 27742-33-2 Catalog No: AG002UNK MDL No:
Product Description
Catalog Number:
AG002UNK
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-
CAS Number:
27742-33-2
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C14H11NO3/c16-13-11-9-6-7-10(18-9)12(11)14(17)15(13)8-4-2-1-3-5-8/h1-7,9-12H
InChI Key:
PUHQMJSQZPUXJP-UHFFFAOYSA-N
SMILES:
O=C1C2C3C=CC(C2C(=O)N1c1ccccc1)O3
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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