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123865-74-7 | Octanoic acid, 8-amino-8-oxo-, methyl ester
CAS No: 123865-74-7 Catalog No: AG000L7I MDL No:
Product Description
Catalog Number:
AG000L7I
Chemical Name:
Octanoic acid, 8-amino-8-oxo-, methyl ester
CAS Number:
123865-74-7
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
methyl 8-amino-8-oxooctanoate
InChI:
InChI=1S/C9H17NO3/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H2,10,11)
InChI Key:
BQBYSJGILRBPLC-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCC(=O)N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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