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88421-69-6 | 1,3-Benzenedipropanenitrile, 4,6-dihydroxy-
CAS No: 88421-69-6 Catalog No: AG004EW5 MDL No:
Product Description
Catalog Number:
AG004EW5
Chemical Name:
1,3-Benzenedipropanenitrile, 4,6-dihydroxy-
CAS Number:
88421-69-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
3-[5-(2-cyanoethyl)-2,4-dihydroxyphenyl]propanenitrile
InChI:
InChI=1S/C12H12N2O2/c13-5-1-3-9-7-10(4-2-6-14)12(16)8-11(9)15/h7-8,15-16H,1-4H2
InChI Key:
NGVKPXCBVIGFMR-UHFFFAOYSA-N
SMILES:
N#CCCc1cc(CCC#N)c(cc1O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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