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100247-99-2 | Hexanoic acid, 6,6'-iminobis-
CAS No: 100247-99-2 Catalog No: AG0001DC MDL No:
Product Description
Catalog Number:
AG0001DC
Chemical Name:
Hexanoic acid, 6,6'-iminobis-
CAS Number:
100247-99-2
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
IUPAC Name:
6-(5-carboxypentylamino)hexanoic acid
InChI:
InChI=1S/C12H23NO4/c14-11(15)7-3-1-5-9-13-10-6-2-4-8-12(16)17/h13H,1-10H2,(H,14,15)(H,16,17)
InChI Key:
QUZWVOITJYYXLZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNCCCCCC(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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