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120081-44-9 | 2-Pyrrolidinone, 5-[2-(acetyloxy)ethyl]-
CAS No: 120081-44-9 Catalog No: AG000Q9L MDL No:
Product Description
Catalog Number:
AG000Q9L
Chemical Name:
2-Pyrrolidinone, 5-[2-(acetyloxy)ethyl]-
CAS Number:
120081-44-9
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
2-(5-oxopyrrolidin-2-yl)ethyl acetate
InChI:
InChI=1S/C8H13NO3/c1-6(10)12-5-4-7-2-3-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)
InChI Key:
QBJIWDVWEGCYPB-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)CCOC(=O)C
EC Number:
601-667-6
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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