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141627-73-8 | Octanoic acid, 3-(acetylamino)-, methyl ester, (R)- (9CI)
CAS No: 141627-73-8 Catalog No: AG001GPT MDL No:
Product Description
Catalog Number:
AG001GPT
Chemical Name:
Octanoic acid, 3-(acetylamino)-, methyl ester, (R)- (9CI)
CAS Number:
141627-73-8
Molecular Formula:
C11H21NO3
Molecular Weight:
215.2893
IUPAC Name:
methyl 3-acetamidooctanoate
InChI:
InChI=1S/C11H21NO3/c1-4-5-6-7-10(12-9(2)13)8-11(14)15-3/h10H,4-8H2,1-3H3,(H,12,13)
InChI Key:
XXIMNMCRPXTYOY-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H](NC(=O)C)CC(=O)OC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.293g/mol
Monoisotopic Mass:
215.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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