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Home > Indoles and Oxindole > 354812-64-9
354812-64-9 | 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoic acid
CAS No: 354812-64-9 Catalog No: AG00JDTE MDL No:MFCD01142190
Product Description
Catalog Number:
AG00JDTE
Chemical Name:
4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoic acid
CAS Number:
354812-64-9
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
MDL Number:
MFCD01142190
IUPAC Name:
4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoic acid
InChI:
InChI=1S/C18H15NO4/c20-16-14-10-5-6-11(13-7-12(10)13)15(14)17(21)19(16)9-3-1-8(2-4-9)18(22)23/h1-6,10-15H,7H2,(H,22,23)
InChI Key:
MFXRVNBWYHSTOY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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