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1261941-65-4 | [1,1'-Biphenyl]-2-carboxylic acid, 3'-(1-pyrrolidinylcarbonyl)-
CAS No: 1261941-65-4 Catalog No: AG000S6Z MDL No:MFCD18312741
Product Description
Catalog Number:
AG000S6Z
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3'-(1-pyrrolidinylcarbonyl)-
CAS Number:
1261941-65-4
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
MDL Number:
MFCD18312741
IUPAC Name:
2-[3-(pyrrolidine-1-carbonyl)phenyl]benzoic acid
InChI:
InChI=1S/C18H17NO3/c20-17(19-10-3-4-11-19)14-7-5-6-13(12-14)15-8-1-2-9-16(15)18(21)22/h1-2,5-9,12H,3-4,10-11H2,(H,21,22)
InChI Key:
WEAJEEHNAQJXDF-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)c1ccccc1C(=O)O)N1CCCC1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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