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17450-29-2 | 1H-Pyrrole-2,5-dione, 1-hexyl-
CAS No: 17450-29-2 Catalog No: AG001ZQA MDL No:
Product Description
Catalog Number:
AG001ZQA
Chemical Name:
1H-Pyrrole-2,5-dione, 1-hexyl-
CAS Number:
17450-29-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
1-hexylpyrrole-2,5-dione
InChI:
InChI=1S/C10H15NO2/c1-2-3-4-5-8-11-9(12)6-7-10(11)13/h6-7H,2-5,8H2,1H3
InChI Key:
FBPVUBVZRPURIU-UHFFFAOYSA-N
SMILES:
CCCCCCN1C(=O)C=CC1=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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