CAS
941716-98-9 Purity
96%
941716-98-9 Purity
96%
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4-Isocyanato-4-phenyltetrahydropyran
CAS
941717-02-8
Catalog Number
ACM941717028
Category
Other Products
Molecular Weight
203.24
Molecular Formula
C12H13NO2
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Specification
Synonyms
4-isocyanato-4-phenyltetrahydropyran
IUPAC Name
4-isocyanato-4-phenyloxane
Canonical SMILES
C1COCCC1(C2=CC=CC=C2)N=C=O
InChI Key
HKKGHFQAYVPNAN-UHFFFAOYSA-N
Exact Mass
203.09500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-Isocyanato-4-phenyltetrahydropyran?
The molecular formula is C12H13NO2.
What is the molecular weight of 4-Isocyanato-4-phenyltetrahydropyran?
The molecular weight is 203.24 g/mol.
When was 4-Isocyanato-4-phenyltetrahydropyran first created?
It was first created on 2009-05-29.
What is the IUPAC name of 4-Isocyanato-4-phenyltetrahydropyran?
The IUPAC name is 4-isocyanato-4-phenyloxane.
What is the Canonical SMILES representation of 4-Isocyanato-4-phenyltetrahydropyran?
The Canonical SMILES representation is C1COCCC1(C2=CC=CC=C2)N=C=O.
How many hydrogen bond acceptor counts does 4-Isocyanato-4-phenyltetrahydropyran have?
It has 3 hydrogen bond acceptor counts.
What is the XLogP3-AA value of 4-Isocyanato-4-phenyltetrahydropyran?
The XLogP3-AA value is 2.9.
What is the topological polar surface area of 4-Isocyanato-4-phenyltetrahydropyran?
The topological polar surface area is 38.7 angstrom squared.
How many rotatable bond counts does 4-Isocyanato-4-phenyltetrahydropyran have?
It has 2 rotatable bond counts.
Is 4-Isocyanato-4-phenyltetrahydropyran a canonicalized compound?
Yes, it is a canonicalized compound.
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