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88421-72-1 | 1,3,5-Benzenetripropanenitrile, 2,4-dihydroxy-
CAS No: 88421-72-1 Catalog No: AG004HTX MDL No:
Product Description
Catalog Number:
AG004HTX
Chemical Name:
1,3,5-Benzenetripropanenitrile, 2,4-dihydroxy-
CAS Number:
88421-72-1
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
3-[3,5-bis(2-cyanoethyl)-2,4-dihydroxyphenyl]propanenitrile
InChI:
InChI=1S/C15H15N3O2/c16-7-1-4-11-10-12(5-2-8-17)15(20)13(14(11)19)6-3-9-18/h10,19-20H,1-6H2
InChI Key:
XNLRYULQXHKLBA-UHFFFAOYSA-N
SMILES:
N#CCCc1cc(CCC#N)c(c(c1O)CCC#N)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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