CAS
903131-59-9 Purity
96%
903131-59-9 Purity
96%
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1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)
CAS
90314-54-8
Catalog Number
ACM90314548
Category
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What is the molecular formula of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The molecular formula is C8H10O2.
What is the molecular weight of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The molecular weight is 138.16 g/mol.
What is the IUPAC name of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The IUPAC name is (1S,2R)-1-ethynyl-3-methylidenecyclopentane-1,2-diol.
What is the InChI of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The InChI is InChI=1S/C8H10O2/c1-3-8(10)5-4-6(2)7(8)9/h1,7,9-10H,2,4-5H2/t7-,8-/m1/s1.
What is the InChIKey of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The InChIKey is QFLFJVMCFXEFAY-HTQZYQBOSA-N.
What is the canonical SMILES of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The canonical SMILES is C=C1CCC(C1O)(C#C)O.
How many hydrogen bond donor counts does 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci) have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci)?
The topological polar surface area is 40.5 Ų.
How many defined atom stereocenter counts does 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci) have?
It has 2 defined atom stereocenter counts.
Is 1,2-Cyclopentanediol,1-ethynyl-3-methylene-,cis-(9ci) a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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