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20956-95-0 | 1H-Perimidine-2-methanol, α-phenyl-
CAS No: 20956-95-0 Catalog No: AG002KAX MDL No:
Product Description
Catalog Number:
AG002KAX
Chemical Name:
1H-Perimidine-2-methanol, α-phenyl-
CAS Number:
20956-95-0
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
1H-perimidin-2-yl(phenyl)methanol
InChI:
InChI=1S/C18H14N2O/c21-17(13-6-2-1-3-7-13)18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11,17,21H,(H,19,20)
InChI Key:
QMRJCXWOVDWCOT-UHFFFAOYSA-N
SMILES:
OC(c1nc2cccc3c2c([nH]1)ccc3)c1ccccc1
NSC Number:
78710
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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