CAS
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1-Isocyanato-2,3-dimethoxybenzene
Catalog Number
ACMA00000853
Category
Amines
Molecular Weight
179.17
Molecular Formula
C10H13NO
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Specification
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 1-isocyanato-2,3-dimethoxybenzene?
The molecular formula is C9H9NO3.
What is the molecular weight of 1-isocyanato-2,3-dimethoxybenzene?
The molecular weight is 179.17 g/mol.
What is the IUPAC name of 1-isocyanato-2,3-dimethoxybenzene?
The IUPAC name is 1-isocyanato-2,3-dimethoxybenzene.
What is the InChI of 1-isocyanato-2,3-dimethoxybenzene?
The InChI is InChI=1S/C9H9NO3/c1-12-8-5-3-4-7(10-6-11)9(8)13-2/h3-5H,1-2H3.
What is the InChIKey of 1-isocyanato-2,3-dimethoxybenzene?
The InChIKey is CAJBJSNTODHAAU-UHFFFAOYSA-N.
What is the canonical SMILES of 1-isocyanato-2,3-dimethoxybenzene?
The canonical SMILES is COC1=CC=CC(=C1OC)N=C=O.
What is the XLogP3-AA value of 1-isocyanato-2,3-dimethoxybenzene?
The XLogP3-AA value is 2.7.
How many hydrogen bond donor counts does 1-isocyanato-2,3-dimethoxybenzene have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-isocyanato-2,3-dimethoxybenzene have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does 1-isocyanato-2,3-dimethoxybenzene have?
It has 3 rotatable bond counts.
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