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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: Nsc137602, Schembl6012111, Hydroquinone compound with hydrazine, Nsc-137602

Molecular Formula

C₆H₁₀N₂O₂

Molecular Weight

142.16 g/mol

InChI Key

XTOKBQLTBGASEX-UHFFFAOYSA-N

1 2D Structure

Benzene-1,4-Diol;Hydrazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzene-1,4-diol;hydrazine

2.1.2 InChI

InChI=1S/C6H6O2.H4N2/c7-5-1-2-6(8)4-3-5;1-2/h1-4,7-8H;1-2H2

2.1.3 InChI Key

XTOKBQLTBGASEX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1O)O.NN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Nsc137602

2. Schembl6012111

3. Hydroquinone Compound With Hydrazine

4. Nsc-137602

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀N₂O₂
Molecular Weight	142.16 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	142.074227566 g/mol
Monoisotopic Mass	142.074227566 g/mol
Topological Polar Surface Area	92.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	54.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2