922-50-9 Purity
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Specification
The molecular formula of 3-Phenanthrol-d9 (major) is C14H10O.
The molecular weight of 3-Phenanthrol-d9 (major) is 203.28 g/mol.
The IUPAC name of 3-Phenanthrol-d9 (major) is 1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-ol.
The InChI of 3-Phenanthrol-d9 (major) is InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D.
The InChIKey of 3-Phenanthrol-d9 (major) is NGPOABOEXMDQBT-LOIXRAQWSA-N.
The canonical SMILES of 3-Phenanthrol-d9 (major) is C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O.
The isomeric SMILES of 3-Phenanthrol-d9 (major) is [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C(=C3[2H])[2H])O)[2H])[2H])[2H])[2H])[2H].
The XLogP3 value of 3-Phenanthrol-d9 (major) is 4.
3-Phenanthrol-d9 (major) has 1 hydrogen bond donor count.
3-Phenanthrol-d9 (major) has 1 hydrogen bond acceptor count.