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137616-72-9 | 1-Pyrrolidinecarboxylic acid, 2-oxo-, 2-methoxyphenyl ester
CAS No: 137616-72-9 Catalog No: AG0013NC MDL No:
Product Description
Catalog Number:
AG0013NC
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-oxo-, 2-methoxyphenyl ester
CAS Number:
137616-72-9
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
(2-methoxyphenyl) 2-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H13NO4/c1-16-9-5-2-3-6-10(9)17-12(15)13-8-4-7-11(13)14/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
QRPHZSNMNSPQLW-UHFFFAOYSA-N
SMILES:
COc1ccccc1OC(=O)N1CCCC1=O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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