CAS
909187-40-2 Purity
96%
909187-40-2 Purity
96%
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2-Isopropoxybenzonitrile
CAS
90921-35-0
Catalog Number
ACM90921350
Category
Other Products
Molecular Weight
161.200440 [g/mol]
Molecular Formula
C10H11NO
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Specification
Synonyms
2-Isopropoxybenzonitrile;2-(1-Methylethoxy)-benzonitrile
IUPAC Name
2-propan-2-yloxybenzonitrile
Canonical SMILES
CC(C)OC1=CC=CC=C1C#N
InChI Key
MSFGJJZPHGNGCY-UHFFFAOYSA-N
Exact Mass
161.08400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-isopropoxybenzonitrile?
The molecular formula of 2-isopropoxybenzonitrile is C10H11NO.
When was 2-isopropoxybenzonitrile created and last modified?
2-isopropoxybenzonitrile was created on October 26, 2006, and last modified on December 30, 2023.
What is the IUPAC Name of 2-isopropoxybenzonitrile?
The IUPAC name of 2-isopropoxybenzonitrile is 2-propan-2-yloxybenzonitrile.
What is the InChI of 2-isopropoxybenzonitrile?
The InChI of 2-isopropoxybenzonitrile is InChI=1S/C10H11NO/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3.
What is the InChIKey of 2-isopropoxybenzonitrile?
The InChIKey of 2-isopropoxybenzonitrile is MSFGJJZPHGNGCY-UHFFFAOYSA-N.
What is the canonical SMILES of 2-isopropoxybenzonitrile?
The canonical SMILES of 2-isopropoxybenzonitrile is CC(C)OC1=CC=CC=C1C#N.
What is the molecular weight of 2-isopropoxybenzonitrile?
The molecular weight of 2-isopropoxybenzonitrile is 161.20 g/mol.
How many hydrogen bond acceptors does 2-isopropoxybenzonitrile have?
2-isopropoxybenzonitrile has 2 hydrogen bond acceptors.
What is the topological polar surface area of 2-isopropoxybenzonitrile?
The topological polar surface area of 2-isopropoxybenzonitrile is 33Å2.
Is 2-isopropoxybenzonitrile a canonicalized compound?
Yes, 2-isopropoxybenzonitrile is a canonicalized compound.
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CAS
909187-64-0 Purity
96%
909187-64-0 Purity
96%
