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871673-06-2 | 2-(4-(2-Oxopyrrolidin-1-yl)phenoxy)acetic acid
CAS No: 871673-06-2 Catalog No: AG004OB0 MDL No:MFCD00440779
Product Description
Catalog Number:
AG004OB0
Chemical Name:
2-(4-(2-Oxopyrrolidin-1-yl)phenoxy)acetic acid
CAS Number:
871673-06-2
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD00440779
IUPAC Name:
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetic acid
InChI:
InChI=1S/C12H13NO4/c14-11-2-1-7-13(11)9-3-5-10(6-4-9)17-8-12(15)16/h3-6H,1-2,7-8H2,(H,15,16)
InChI Key:
ZJAZOQRDYBOLBW-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)N1CCCC1=O
Properties
Complexity:
297
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:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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