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649774-27-6 | Benzoic acid, 3-[3-(4-ethylphenoxy)-2-oxo-1-pyrrolidinyl]-
CAS No: 649774-27-6 Catalog No: AG00H6PK MDL No:
Product Description
Catalog Number:
AG00H6PK
Chemical Name:
Benzoic acid, 3-[3-(4-ethylphenoxy)-2-oxo-1-pyrrolidinyl]-
CAS Number:
649774-27-6
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
3-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
InChI:
InChI=1S/C19H19NO4/c1-2-13-6-8-16(9-7-13)24-17-10-11-20(18(17)21)15-5-3-4-14(12-15)19(22)23/h3-9,12,17H,2,10-11H2,1H3,(H,22,23)
InChI Key:
XPQSSLXJDCHBBP-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OC1CCN(C1=O)c1cccc(c1)C(=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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