Home Other Building Blocks 2-(4-tert-butylphenyl)-2-oxoacetic acid

2-(4-tert-butylphenyl)-2-oxoacetic acid

CAS No.:
7099-90-3
Catalog Number:
AG019XNI
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG019XNI
Chemical Name:
2-(4-tert-butylphenyl)-2-oxoacetic acid
CAS Number:
7099-90-3
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD11103006
IUPAC Name:
2-(4-tert-butylphenyl)-2-oxoacetic acid
InChI:
InChI=1S/C12H14O3/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7H,1-3H3,(H,14,15)
InChI Key:
YOQYYFSVDYBQEW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)C(=O)O
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties