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157503-18-9 | 1H-Pyrrole-2,5-dione, 1-(6-hydroxyhexyl)-
CAS No: 157503-18-9 Catalog No: AG001PHQ MDL No:
Product Description
Catalog Number:
AG001PHQ
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(6-hydroxyhexyl)-
CAS Number:
157503-18-9
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
1-(6-hydroxyhexyl)pyrrole-2,5-dione
InChI:
InChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,12H,1-4,7-8H2
InChI Key:
SVMIVBMALOISKL-UHFFFAOYSA-N
SMILES:
OCCCCCCN1C(=O)C=CC1=O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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