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67752-29-8 | 4-Quinolinepropionic acid
CAS No: 67752-29-8 Catalog No: AG0063F1 MDL No:MFCD01570452
Product Description
Catalog Number:
AG0063F1
Chemical Name:
4-Quinolinepropionic acid
CAS Number:
67752-29-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD01570452
IUPAC Name:
3-quinolin-4-ylpropanoic acid
InChI:
InChI=1S/C12H11NO2/c14-12(15)6-5-9-7-8-13-11-4-2-1-3-10(9)11/h1-4,7-8H,5-6H2,(H,14,15)
InChI Key:
IWJZVWBVDNIJIL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccnc2c1cccc2
NSC Number:
100032
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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