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155172-87-5 | 3-Cyclobutene-1,2-dione, 3-[4-(dibutylaMino)phenyl]-4-hydroxy-
CAS No: 155172-87-5 Catalog No: AG001NP0 MDL No:
Product Description
Catalog Number:
AG001NP0
Chemical Name:
3-Cyclobutene-1,2-dione, 3-[4-(dibutylaMino)phenyl]-4-hydroxy-
CAS Number:
155172-87-5
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
IUPAC Name:
3-[4-(dibutylamino)phenyl]-4-hydroxycyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C18H23NO3/c1-3-5-11-19(12-6-4-2)14-9-7-13(8-10-14)15-16(20)18(22)17(15)21/h7-10,20H,3-6,11-12H2,1-2H3
InChI Key:
LKMSCUCFGQUBOC-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C1=C(O)C(=O)C1=O)CCCC
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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