CAS
91233-19-1 Purity
96%
91233-19-1 Purity
96%
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1-Cyano-3,6-dimethoxy-benzocyclobutene
CAS
912342-26-8
Catalog Number
ACM912342268
Category
Other Products
Molecular Weight
187.194660 [g/mol]
Molecular Formula
C11H9NO2
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Specification
Synonyms
CTK5G9090, AKOS006309141, AG-H-74218, 1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE, 912342-26-8
IUPAC Name
2,5-dimethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile
Canonical SMILES
COC1=C2C=C(C2=C(C=C1)OC)C#N
InChI Key
REAPZESXPCSLLW-UHFFFAOYSA-N
Boiling Point
366.8ºC at 760 mmHg
Flash Point
152.9ºC
Density
1.23g/cm³
Exact Mass
187.06300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The molecular formula is C11H9NO2.
What is the molecular weight of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The molecular weight is 187.19 g/mol.
When was 1-Cyano-3,6-dimethoxy-benzocyclobutene created in PubChem?
It was created on January 24, 2012.
What is the InChI of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The InChI is InChI=1S/C11H9NO2/c1-13-9-3-4-10(14-2)11-7(6-12)5-8(9)11/h3-5H,1-2H3.
What is the InChIKey of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The InChIKey is REAPZESXPCSLLW-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The canonical SMILES is COC1=C2C=C(C2=C(C=C1)OC)C#N.
What is the CAS number of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The CAS number is 912342-26-8.
What is the XLogP3-AA value of 1-Cyano-3,6-dimethoxy-benzocyclobutene?
The XLogP3-AA value is 0.8.
How many hydrogen bond donor counts does 1-Cyano-3,6-dimethoxy-benzocyclobutene have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-Cyano-3,6-dimethoxy-benzocyclobutene have?
It has 3 hydrogen bond acceptor counts.
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