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14398-95-9 | Ethyl 1-methylpyrrolidine-3-carboxylate
CAS No: 14398-95-9 Catalog No: AG003Q10 MDL No:MFCD12198863
Product Description
Catalog Number:
AG003Q10
Chemical Name:
Ethyl 1-methylpyrrolidine-3-carboxylate
CAS Number:
14398-95-9
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD12198863
IUPAC Name:
ethyl 1-methylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2/c1-3-11-8(10)7-4-5-9(2)6-7/h7H,3-6H2,1-2H3
InChI Key:
DHWKOWPDAGMVOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(C1)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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