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649773-88-6 | Benzoic acid, 3-[2-oxo-3-(4-phenoxyphenoxy)-1-pyrrolidinyl]-
CAS No: 649773-88-6 Catalog No: AG00H6PT MDL No:
Product Description
Catalog Number:
AG00H6PT
Chemical Name:
Benzoic acid, 3-[2-oxo-3-(4-phenoxyphenoxy)-1-pyrrolidinyl]-
CAS Number:
649773-88-6
Molecular Formula:
C23H19NO5
Molecular Weight:
389.4007
IUPAC Name:
3-[2-oxo-3-(4-phenoxyphenoxy)pyrrolidin-1-yl]benzoic acid
InChI:
InChI=1S/C23H19NO5/c25-22-21(13-14-24(22)17-6-4-5-16(15-17)23(26)27)29-20-11-9-19(10-12-20)28-18-7-2-1-3-8-18/h1-12,15,21H,13-14H2,(H,26,27)
InChI Key:
GPWZXJJXDBYRHD-UHFFFAOYSA-N
SMILES:
O=C1C(CCN1c1cccc(c1)C(=O)O)Oc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.126g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.407g/mol
Monoisotopic Mass:
389.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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