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Home Carboxys 8-[(carboxymethyl)amino]-8-oxo-Octanoic acid

8-[(carboxymethyl)amino]-8-oxo-Octanoic acid

CAS No.:
60317-54-6
Catalog Number:
AG00EF3K
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
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Product Description
Catalog Number:
AG00EF3K
Chemical Name:
8-[(carboxymethyl)amino]-8-oxo-Octanoic acid
CAS Number:
60317-54-6
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD09953737
IUPAC Name:
8-(carboxymethylamino)-8-oxooctanoic acid
InChI:
InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
HXATVKDSYDWTCX-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)O)CCCCCCC(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Compound heterozygosity in four asymptomatic siblings with medium-chain acyl-CoA dehydrogenase deficiency. Journal of inherited metabolic disease 20010601
Properties