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88308-99-0 | 2-Pyrrolidinone, 3-(acetyloxy)-1-butyl-4,4-dimethyl-, (R)-, perchlorate
CAS No: 88308-99-0 Catalog No: AG00486B MDL No:
Product Description
Catalog Number:
AG00486B
Chemical Name:
2-Pyrrolidinone, 3-(acetyloxy)-1-butyl-4,4-dimethyl-, (R)-, perchlorate
CAS Number:
88308-99-0
Molecular Formula:
C12H22ClNO7
Molecular Weight:
327.7586
IUPAC Name:
[(3R)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl] acetate;perchloric acid
InChI:
InChI=1S/C12H21NO3.ClHO4/c1-5-6-7-13-8-12(3,4)10(11(13)15)16-9(2)14;2-1(3,4)5/h10H,5-8H2,1-4H3;(H,2,3,4,5)/t10-;/m0./s1
InChI Key:
BRIQOUCZOVAVCK-PPHPATTJSA-N
SMILES:
O[Cl](=O)(=O)=O.CCCCN1CC([C@H](C1=O)OC(=O)C)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.758g/mol
Monoisotopic Mass:
327.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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