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20956-94-9 | 1H-Perimidine-2-methanol
CAS No: 20956-94-9 Catalog No: AG002KAY MDL No:
Product Description
Catalog Number:
AG002KAY
Chemical Name:
1H-Perimidine-2-methanol
CAS Number:
20956-94-9
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
1H-perimidin-2-ylmethanol
InChI:
InChI=1S/C12H10N2O/c15-7-11-13-9-5-1-3-8-4-2-6-10(14-11)12(8)9/h1-6,15H,7H2,(H,13,14)
InChI Key:
JEZCQKKWTIYYMX-UHFFFAOYSA-N
SMILES:
OCc1nc2cccc3c2c([nH]1)ccc3
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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