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89068-59-7 | 1H-Pyrrole-2,5-dione, 3,4-dimethyl-1-(1-naphthalenyl)-
CAS No: 89068-59-7 Catalog No: AG00410E MDL No:
Product Description
Catalog Number:
AG00410E
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dimethyl-1-(1-naphthalenyl)-
CAS Number:
89068-59-7
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3,4-dimethyl-1-naphthalen-1-ylpyrrole-2,5-dione
InChI:
InChI=1S/C16H13NO2/c1-10-11(2)16(19)17(15(10)18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3
InChI Key:
HIVTVCJKNALEER-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C(=O)N1c1cccc2c1cccc2)C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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