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91829-95-7

91829-95-7 | 2-Pyrrolidinepropanoicacid, 1-(4-methoxybenzoyl)-5-oxo-

CAS No: 91829-95-7 Catalog No: AG006GIA MDL No:

Product Description

Catalog Number:
AG006GIA
Chemical Name:
2-Pyrrolidinepropanoicacid, 1-(4-methoxybenzoyl)-5-oxo-
CAS Number:
91829-95-7
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
IUPAC Name:
3-[1-(4-methoxybenzoyl)-5-oxopyrrolidin-2-yl]propanoic acid
InChI:
InChI=1S/C15H17NO5/c1-21-12-6-2-10(3-7-12)15(20)16-11(4-8-13(16)17)5-9-14(18)19/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,19)
InChI Key:
RETXVYVFAUXRHY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1C(CCC(=O)O)CCC1=O

Properties

Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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