Home Carboxys 1-(quinolin-4-yl)cyclopropane-1-carboxylic acid

1-(quinolin-4-yl)cyclopropane-1-carboxylic acid

CAS No.:
869973-48-8
Catalog Number:
AG01BRUU
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
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Product Description
Catalog Number:
AG01BRUU
Chemical Name:
1-(quinolin-4-yl)cyclopropane-1-carboxylic acid
CAS Number:
869973-48-8
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD26673592
IUPAC Name:
1-quinolin-4-ylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C13H11NO2/c15-12(16)13(6-7-13)10-5-8-14-11-4-2-1-3-9(10)11/h1-5,8H,6-7H2,(H,15,16)
InChI Key:
DQQJOXMSUIXENC-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1ccnc2c1cccc2
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties