CAS
91552-82-8 Purity
97%
91552-82-8 Purity
97%
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(2-Prop-2-ynylcyclooctyl)carbamate
CAS
91553-92-3
Catalog Number
ACM91553923
Category
Other Products
Molecular Weight
209.285 g/mol
Molecular Formula
C12H19NO2
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Specification
Synonyms
1-(2-Propynyl)cyclooctanol carbamate, CID56264, BRN 3275121, Cyclooctanol, 1-(2-proynyl)-, carbamate, 1-(2-Propynyl)cyclooctyl ester of carbamic acid, LS-50622, CARBAMIC ACID, 1-(2-PROPYNYL)CYCLOOCTYL ESTER, 4-06-00-00391 (Beilstein Handbook Reference), 91553-92-3
IUPAC Name
(2-prop-2-ynylcyclooctyl) carbamate
Canonical SMILES
C#CCC1CCCCCCC1OC(=O)N
InChI Key
UMEKLLKXLKXVJK-UHFFFAOYSA-N
Exact Mass
209.14200
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of "(2-Prop-2-ynylcyclooctyl)carbamate"?
The molecular formula is C12H19NO2.
When was the compound created and modified in PubChem?
The compound was created on December 12, 2007, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is "(1-prop-2-ynylcyclooctyl) carbamate".
What is the InChI of the compound?
The InChI is InChI=1S/C12H19NO2/c1-2-8-12(15-11(13)14)9-6-4-3-5-7-10-12/h1H,3-10H2,(H2,13,14).
What is the InChIKey of the compound?
The InChIKey is BYKOUTLNFZTIPN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 209.141578849 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 52.3 Å2.
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