CAS
912368-73-1 Purity
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912368-73-1 Purity
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(2-prop-2-ynylcyclopentyl) carbamate
CAS
91240-09-4
Catalog Number
ACM91240094
Category
Other Products
Molecular Weight
167.205 g/mol
Molecular Formula
C9H13NO2
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Specification
Synonyms
1-(2-Propynyl)cyclopentanol carbamate, CID56197, BRN 3247247, Cyclopentanol, 1-(2-propynyl)-, carbamate, 1-(2-Propynyl)cyclopentyl ester of carbamic acid, LS-50623, 4-06-00-00356 (Beilstein Handbook Reference), CARBAMIC ACID, 1-(2-PROPYNYL)CYCLOPENTYL ESTER, 91240-09-4
IUPAC Name
(2-prop-2-ynylcyclopentyl) carbamate
Canonical SMILES
C#CCC1CCCC1OC(=O)N
InChI Key
YTOAQAJXGGMIBE-UHFFFAOYSA-N
Boiling Point
294ºC at 760mmHg
Flash Point
142.3ºC
Density
1.09g/cm³
Exact Mass
167.09500
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of (2-prop-2-ynylcyclopentyl) carbamate?
The molecular formula is C9H13NO2.
When was the structure of (2-prop-2-ynylcyclopentyl) carbamate created?
The structure was created on December 12, 2007.
What is the molecular weight of (2-prop-2-ynylcyclopentyl) carbamate?
The molecular weight is 167.20 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (1-prop-2-ynylcyclopentyl) carbamate.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is C#CCC1(CCCC1)OC(=O)N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 52.3 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many defined atom stereocenter counts are in the compound?
There are 0 defined atom stereocenter counts.
What is the InChIKey of (2-prop-2-ynylcyclopentyl) carbamate?
The InChIKey is LZZRLERRBCQXHO-UHFFFAOYSA-N.
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