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88598-21-4 | Piperidine, 1-(2-propynyl)-, ethanedioate
CAS No: 88598-21-4 Catalog No: AG004CVC MDL No:
Product Description
Catalog Number:
AG004CVC
Chemical Name:
Piperidine, 1-(2-propynyl)-, ethanedioate
CAS Number:
88598-21-4
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
IUPAC Name:
oxalic acid;1-prop-2-ynylpiperidine
InChI:
InChI=1S/C8H13N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h1H,3-8H2;(H,3,4)(H,5,6)
InChI Key:
VJSMXZYRRBDQRB-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.C#CCN1CCCCC1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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