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14471-87-5 | Pentanoic acid, 5-(dimethylamino)-5-oxo-, methyl ester
CAS No: 14471-87-5 Catalog No: AG001K3B MDL No:
Product Description
Catalog Number:
AG001K3B
Chemical Name:
Pentanoic acid, 5-(dimethylamino)-5-oxo-, methyl ester
CAS Number:
14471-87-5
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
methyl 5-(dimethylamino)-5-oxopentanoate
InChI:
InChI=1S/C8H15NO3/c1-9(2)7(10)5-4-6-8(11)12-3/h4-6H2,1-3H3
InChI Key:
LKYXYMWQTCGECE-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)N(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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