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125347-82-2 | Proline, 1-acetyl-, ethyl ester
CAS No: 125347-82-2 Catalog No: AG000NIW MDL No:
Product Description
Catalog Number:
AG000NIW
Chemical Name:
Proline, 1-acetyl-, ethyl ester
CAS Number:
125347-82-2
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
ethyl 1-acetylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-3-13-9(12)8-5-4-6-10(8)7(2)11/h8H,3-6H2,1-2H3
InChI Key:
JAYYFYOXZUMYNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CCCN1C(=O)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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