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88795-33-9 | 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-, acetate
CAS No: 88795-33-9 Catalog No: AG004CXZ MDL No:
Product Description
Catalog Number:
AG004CXZ
Chemical Name:
2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-, acetate
CAS Number:
88795-33-9
Molecular Formula:
C14H22N2O3
Molecular Weight:
266.3361
IUPAC Name:
acetic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H18N2O.C2H4O2/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;1-2(3)4/h1-2,5-11H2;1H3,(H,3,4)
InChI Key:
RQWDSGNWEUERIV-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CC#CCN1CCCC1.CC(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.341g/mol
Monoisotopic Mass:
266.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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