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88194-99-4 | Azetidine, 2-butyl-1-methyl-, ethanedioate (1:1)
CAS No: 88194-99-4 Catalog No: AG004DYN MDL No:
Product Description
Catalog Number:
AG004DYN
Chemical Name:
Azetidine, 2-butyl-1-methyl-, ethanedioate (1:1)
CAS Number:
88194-99-4
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
2-butyl-1-methylazetidine;oxalic acid
InChI:
InChI=1S/C8H17N.C2H2O4/c1-3-4-5-8-6-7-9(8)2;3-1(4)2(5)6/h8H,3-7H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
BNRIXCDMBYFVND-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCC1CCN1C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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