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15890-18-3 | Dodecanoic acid, compd. with cyclohexanamine (1:1)
CAS No: 15890-18-3 Catalog No: AG001QZU MDL No:
Product Description
Catalog Number:
AG001QZU
Chemical Name:
Dodecanoic acid, compd. with cyclohexanamine (1:1)
CAS Number:
15890-18-3
Molecular Formula:
C18H37NO2
Molecular Weight:
299.4919
IUPAC Name:
cyclohexanamine;dodecanoic acid
InChI:
InChI=1S/C12H24O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-6-4-2-1-3-5-6/h2-11H2,1H3,(H,13,14);6H,1-5,7H2
InChI Key:
BHYTYRNNCQSTCG-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.CCCCCCCCCCCC(=O)O
EC Number:
240-027-7
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.282g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.499g/mol
Monoisotopic Mass:
299.282g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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