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123655-40-3 | Butanedioic acid, compd. with N,N-diethylethanamine (1:?)
CAS No: 123655-40-3 Catalog No: AG000KXU MDL No:
Product Description
Catalog Number:
AG000KXU
Chemical Name:
Butanedioic acid, compd. with N,N-diethylethanamine (1:?)
CAS Number:
123655-40-3
Molecular Formula:
C10H21NO4
Molecular Weight:
219.2780
IUPAC Name:
butanedioic acid;N,N-diethylethanamine
InChI:
InChI=1S/C6H15N.C4H6O4/c1-4-7(5-2)6-3;5-3(6)1-2-4(7)8/h4-6H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
InChI Key:
CJZGXWURAFVFND-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)O.CCN(CC)CC
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.281g/mol
Monoisotopic Mass:
219.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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