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1098377-38-8 | 2-(4-tert-Butyl-2-methylphenoxy)isonicotinic acid
CAS No: 1098377-38-8 Catalog No: AG00HBMI MDL No:MFCD13634039
Product Description
Catalog Number:
AG00HBMI
Chemical Name:
2-(4-tert-Butyl-2-methylphenoxy)isonicotinic acid
CAS Number:
1098377-38-8
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
MDL Number:
MFCD13634039
IUPAC Name:
2-(4-tert-butyl-2-methylphenoxy)pyridine-4-carboxylic acid
InChI:
InChI=1S/C17H19NO3/c1-11-9-13(17(2,3)4)5-6-14(11)21-15-10-12(16(19)20)7-8-18-15/h5-10H,1-4H3,(H,19,20)
InChI Key:
MSZOAKXSWODGEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)Oc1ccc(cc1C)C(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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