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88584-85-4 | Pyrrolidine, 1-(3-methyl-1,2-dioxo-3-butenyl)-
CAS No: 88584-85-4 Catalog No: AG004DHZ MDL No:
Product Description
Catalog Number:
AG004DHZ
Chemical Name:
Pyrrolidine, 1-(3-methyl-1,2-dioxo-3-butenyl)-
CAS Number:
88584-85-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
InChI:
InChI=1S/C9H13NO2/c1-7(2)8(11)9(12)10-5-3-4-6-10/h1,3-6H2,2H3
InChI Key:
TYAULQKUTZSPNY-UHFFFAOYSA-N
SMILES:
O=C(C(=O)C(=C)C)N1CCCC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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