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102040-91-5 | Pentanoic acid, 5-amino-5-oxo-, methyl ester
CAS No: 102040-91-5 Catalog No: AG0006G4 MDL No:
Product Description
Catalog Number:
AG0006G4
Chemical Name:
Pentanoic acid, 5-amino-5-oxo-, methyl ester
CAS Number:
102040-91-5
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
methyl 5-amino-5-oxopentanoate
InChI:
InChI=1S/C6H11NO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H2,7,8)
InChI Key:
WGWCCCBSMGNFOE-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)N
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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