3-Carboxymethyl-3'-(pyrrolidinocarbony)biphenyl - CAS 1375069-22-9
Catalog: |
BB070545 |
Product Name: |
3-Carboxymethyl-3'-(pyrrolidinocarbony)biphenyl |
CAS: |
1375069-22-9 |
Synonyms: |
3-Carboxymethyl-3'-(pyrrolidinocarbony)biphenyl; 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid; 3 inverted exclamation marka-(1-Pyrrolidinylcarbonyl)[1,1 inverted exclamation marka-biphenyl]-3-acetic acid |
IUPAC Name: | 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid |
Description: | 3-Carboxymethyl-3'-(pyrrolidinocarbony)biphenyl |
Molecular Weight: | 309.35 |
Molecular Formula: | C19H19NO3 |
Canonical SMILES: | C1CCN(C1)C(=O)C2=CC=CC(=C2)C3=CC=CC(=C3)CC(=O)O |
InChI: | InChI=1S/C19H19NO3/c21-18(22)12-14-5-3-6-15(11-14)16-7-4-8-17(13-16)19(23)20-9-1-2-10-20/h3-8,11,13H,1-2,9-10,12H2,(H,21,22) |
InChI Key: | SGJAIVPQDHGHHV-UHFFFAOYSA-N |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.13649347 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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