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13188-60-8 | Dodecanedioic acid, compd. with 1,6-hexanediamine (1:1)
CAS No: 13188-60-8 Catalog No: AG000ZUZ MDL No:
Product Description
Catalog Number:
AG000ZUZ
Chemical Name:
Dodecanedioic acid, compd. with 1,6-hexanediamine (1:1)
CAS Number:
13188-60-8
Molecular Formula:
C18H38N2O4
Molecular Weight:
346.5053
IUPAC Name:
dodecanedioic acid;hexane-1,6-diamine
InChI:
InChI=1S/C12H22O4.C6H16N2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;7-5-3-1-2-4-6-8/h1-10H2,(H,13,14)(H,15,16);1-8H2
InChI Key:
ZMUCVNSKULGPQG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCC(=O)O.NCCCCCCN
EC Number:
236-143-2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.283g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.512g/mol
Monoisotopic Mass:
346.283g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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