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68239-15-6 | BUTANEDIOIC ACID COMPD. WITH N,N-DIETHYLCYCLOHEXANAMINE (1:1)
CAS No: 68239-15-6 Catalog No: AG005LL7 MDL No:
Product Description
Catalog Number:
AG005LL7
Chemical Name:
BUTANEDIOIC ACID COMPD. WITH N,N-DIETHYLCYCLOHEXANAMINE (1:1)
CAS Number:
68239-15-6
Molecular Formula:
C14H27NO4
Molecular Weight:
273.3685
IUPAC Name:
butanedioic acid;N,N-diethylcyclohexanamine
InChI:
InChI=1S/C10H21N.C4H6O4/c1-3-11(4-2)10-8-6-5-7-9-10;5-3(6)1-2-4(7)8/h10H,3-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChI Key:
ZOXHYIJFQSNLSU-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)O.CCN(C1CCCCC1)CC
EC Number:
269-429-0
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.373g/mol
Monoisotopic Mass:
273.194g/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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