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89017-54-9 | 2-Pyrrolidinone, 5-hydroxy-1-(1-methyl-3-pentynyl)-
CAS No: 89017-54-9 Catalog No: AG004383 MDL No:
Product Description
Catalog Number:
AG004383
Chemical Name:
2-Pyrrolidinone, 5-hydroxy-1-(1-methyl-3-pentynyl)-
CAS Number:
89017-54-9
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
1-hex-4-yn-2-yl-5-hydroxypyrrolidin-2-one
InChI:
InChI=1S/C10H15NO2/c1-3-4-5-8(2)11-9(12)6-7-10(11)13/h8-9,12H,5-7H2,1-2H3
InChI Key:
DHRWBEQHUNRBPO-UHFFFAOYSA-N
SMILES:
CC#CCC(N1C(O)CCC1=O)C
Properties
Complexity:
261
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:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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