CAS
97950-22-6 Purity
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97950-22-6 Purity
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Hept-1-yn-1-yl methyl carbonate
CAS
97952-37-9
Catalog Number
ACM97952379
Category
Other Products
Molecular Weight
170.205660 [g/mol]
Molecular Formula
C9H14O3
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Specification
Synonyms
Cyclopentyl acetylene, Hept-1-yn-1-yl methyl carbonate, NSC46098, Carbonic acid, heptynyl methyl ester, EINECS 308-329-4, CID113471, 54140-14-6, 97952-37-9
IUPAC Name
hept-1-ynyl methyl carbonate
SMILES
CCCCCC#COC(=O)OC
InChI Key
PZHVEPZVKDFQRN-UHFFFAOYSA-N
Boiling Point
206.7ºC at 760mmHg
Flash Point
79.1ºC
Density
0.999g/cm³
EC Number
308-329-4
Exact Mass
170.09400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Hept-1-yn-1-yl methyl carbonate?
The molecular formula of Hept-1-yn-1-yl methyl carbonate is C9H14O3.
When was Hept-1-yn-1-yl methyl carbonate first created?
Hept-1-yn-1-yl methyl carbonate was first created on March 26, 2005.
What is the IUPAC name of Hept-1-yn-1-yl methyl carbonate?
The IUPAC name of Hept-1-yn-1-yl methyl carbonate is hept-1-ynyl methyl carbonate.
What is the InChIKey of Hept-1-yn-1-yl methyl carbonate?
The InChIKey of Hept-1-yn-1-yl methyl carbonate is PZHVEPZVKDFQRN-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Hept-1-yn-1-yl methyl carbonate have?
Hept-1-yn-1-yl methyl carbonate has 3 hydrogen bond acceptors.
What is the topological polar surface area of Hept-1-yn-1-yl methyl carbonate?
The topological polar surface area of Hept-1-yn-1-yl methyl carbonate is 35.5 Ų.
How many rotatable bond counts does Hept-1-yn-1-yl methyl carbonate have?
Hept-1-yn-1-yl methyl carbonate has 6 rotatable bond counts.
What is the exact mass of Hept-1-yn-1-yl methyl carbonate?
The exact mass of Hept-1-yn-1-yl methyl carbonate is 170.094294304 g/mol.
Is Hept-1-yn-1-yl methyl carbonate a canonicalized compound?
Yes, Hept-1-yn-1-yl methyl carbonate is a canonicalized compound.
What is the complexity value of Hept-1-yn-1-yl methyl carbonate?
The complexity value of Hept-1-yn-1-yl methyl carbonate is 184.
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