CAS
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7-(tert-Butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Catalog Number
ACMA00002378
Category
Ethers
Molecular Weight
284.31
Molecular Formula
C13H10O3
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Specification
Hazard Statements
H317
RIDADR
UN 1760 8 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C13H20N2O5.
What is the molecular weight of the compound?
The molecular weight of the compound is 284.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is SKWDIOBLAPQHAF-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(C)(C)OC(=O)N1CCCC2(C1)CC(=NO2)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 1160247-01-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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