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113770-64-2 | 1-Piperazinecarbonitrile, 4-(4-hydroxyphenyl)-
CAS No: 113770-64-2 Catalog No: AG0009MR MDL No:
Product Description
Catalog Number:
AG0009MR
Chemical Name:
1-Piperazinecarbonitrile, 4-(4-hydroxyphenyl)-
CAS Number:
113770-64-2
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
4-(4-hydroxyphenyl)piperazine-1-carbonitrile
InChI:
InChI=1S/C11H13N3O/c12-9-13-5-7-14(8-6-13)10-1-3-11(15)4-2-10/h1-4,15H,5-8H2
InChI Key:
GYZMZMMANLXUOP-UHFFFAOYSA-N
SMILES:
N#CN1CCN(CC1)c1ccc(cc1)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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