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119940-87-3 | Cyclohexaneheptanoic acid, 2-amino-6-hexyl-
CAS No: 119940-87-3 Catalog No: AG000PV4 MDL No:
Product Description
Catalog Number:
AG000PV4
Chemical Name:
Cyclohexaneheptanoic acid, 2-amino-6-hexyl-
CAS Number:
119940-87-3
Molecular Formula:
C19H37NO2
Molecular Weight:
311.5026
IUPAC Name:
7-(2-amino-6-hexylcyclohexyl)heptanoic acid
InChI:
InChI=1S/C19H37NO2/c1-2-3-4-7-11-16-12-10-14-18(20)17(16)13-8-5-6-9-15-19(21)22/h16-18H,2-15,20H2,1H3,(H,21,22)
InChI Key:
LWRZEZLGHYSEQE-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCCC(C1CCCCCCC(=O)O)N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.51g/mol
Monoisotopic Mass:
311.282g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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