Home Other Building Blocks 4-tert-butyl-2-hydroxybenzoic acid

4-tert-butyl-2-hydroxybenzoic acid

CAS No.:
4578-63-6
Catalog Number:
AG00DG15
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG00DG15
Chemical Name:
4-tert-butyl-2-hydroxybenzoic acid
CAS Number:
4578-63-6
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD16999904
IUPAC Name:
4-tert-butyl-2-hydroxybenzoic acid
InChI:
InChI=1S/C11H14O3/c1-11(2,3)7-4-5-8(10(13)14)9(12)6-7/h4-6,12H,1-3H3,(H,13,14)
InChI Key:
DEZCCOKUEFEDGQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1O)C(C)(C)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties