CAS
915278-80-7 Purity
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915278-80-7 Purity
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1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid methyl ester
CAS
915317-20-3
Catalog Number
ACM915317203
Category
Other Products
Molecular Weight
241.283560 [g/mol]
Molecular Formula
C12H19NO4
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Specification
Synonyms
AKOS015909943, KB-62539, I14-32291, (1R,2R)-methyl-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylate, 915317-20-3
IUPAC Name
methyl (1R,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)NC1(CC1C=C)C(=O)OC
InChI Key
MMSKTMKTGVHMAV-QPUJVOFHSA-N
Exact Mass
241.13100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C12H19NO4.
When was the compound created and modified?
The compound was created on 2006-10-26 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl (1R,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.
What is the InChIKey of the compound?
The InChIKey of the compound is MMSKTMKTGVHMAV-QPUJVOFHSA-N.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value for the compound is 1.7.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the exact mass of the compound?
The exact mass of the compound is 241.13140809 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 64.6 Å^2.
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