Home Other Building Blocks 4-(3-oxocyclobutyl)benzoic acid

4-(3-oxocyclobutyl)benzoic acid

CAS No.:
2138072-56-5
Catalog Number:
AG01EJYW
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG01EJYW
Chemical Name:
4-(3-oxocyclobutyl)benzoic acid
CAS Number:
2138072-56-5
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD31559251
IUPAC Name:
4-(3-oxocyclobutyl)benzoic acid
InChI:
InChI=1S/C11H10O3/c12-10-5-9(6-10)7-1-3-8(4-2-7)11(13)14/h1-4,9H,5-6H2,(H,13,14)
InChI Key:
ANYQAUQHQCWOQK-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)c1ccc(cc1)C(=O)O
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties