Orange Ot

Synopsis, Chemistry

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Also known as:

Molecular Formula

C₁₇H₁₄N₂O

Molecular Weight

262.30 g/mol

InChI Key

YARMASSTSUTDQJ-ZPHPHTNESA-N

1 2D Structure

Orange Ot

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1Z)-1-[(2-methylphenyl)hydrazinylidene]naphthalen-2-one

2.1.2 InChI

InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,18H,1H3/b19-17-

2.1.3 InChI Key

YARMASSTSUTDQJ-ZPHPHTNESA-N

2.1.4 Canonical SMILES

CC1=CC=CC=C1NN=C2C(=O)C=CC3=CC=CC=C32

2.1.5 Isomeric SMILES

CC1=CC=CC=C1N/N=C/2\C(=O)C=CC3=CC=CC=C32

2.2 Create Date

2005-09-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄N₂O
Molecular Weight	262.30 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	262.110613074 g/mol
Monoisotopic Mass	262.110613074 g/mol
Topological Polar Surface Area	41.5 A^2
Heavy Atom Count	20
Formal Charge	0
Complexity	427
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1