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3-cyclobutylbenzoic acid

CAS No.:
19936-19-7
Catalog Number:
AG01B7TQ
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01B7TQ
Chemical Name:
3-cyclobutylbenzoic acid
CAS Number:
19936-19-7
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD20651608
IUPAC Name:
3-cyclobutylbenzoic acid
InChI:
InChI=1S/C11H12O2/c12-11(13)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4H2,(H,12,13)
InChI Key:
UJQRIEBZAHFCEV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1CCC1
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties