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89143-07-7 | 1H-Pyrrole-2,5-dione, 1-(4-propoxyphenyl)-
CAS No: 89143-07-7 Catalog No: AG003YXQ MDL No:MFCD00749005
Product Description
Catalog Number:
AG003YXQ
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(4-propoxyphenyl)-
CAS Number:
89143-07-7
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00749005
IUPAC Name:
1-(4-propoxyphenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C13H13NO3/c1-2-9-17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h3-8H,2,9H2,1H3
InChI Key:
OVDHKYNXUCBNMQ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)N1C(=O)C=CC1=O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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