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162661-91-8 | Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-6-oxo-2-naphthalenyl)amino]carbonyl]-
CAS No: 162661-91-8 Catalog No: AG001TAP MDL No:
Product Description
Catalog Number:
AG001TAP
Chemical Name:
Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-6-oxo-2-naphthalenyl)amino]carbonyl]-
CAS Number:
162661-91-8
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
IUPAC Name:
4-[(5,5,8,8-tetramethyl-6-oxo-7H-naphthalen-2-yl)carbamoyl]benzoic acid
InChI:
InChI=1S/C22H23NO4/c1-21(2)12-18(24)22(3,4)16-10-9-15(11-17(16)21)23-19(25)13-5-7-14(8-6-13)20(26)27/h5-11H,12H2,1-4H3,(H,23,25)(H,26,27)
InChI Key:
HKWXTAAIQIWIKN-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)c2c(C1(C)C)ccc(c2)NC(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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