CAS
99199-60-7 Purity
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99199-60-7 Purity
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Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester
CAS
99199-61-8
Catalog Number
ACM99199618
Category
Other Products
Molecular Weight
224.23
Molecular Formula
C12H13FO3
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Specification
Synonyms
Ethyl 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
IUPAC Name
ethyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
Canonical SMILES
CCOC(=O)C1CCC2=C(O1)C=CC(=C2)F
InChI Key
XLTYRVHHKJREDL-UHFFFAOYSA-N
Appearance
Colourless Oil
Exact Mass
224.08500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
The molecular formula is C12H13FO3.
What is the molecular weight of Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
The molecular weight is 224.23 g/mol.
What are some synonyms for Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
Some synonyms include ethyl 6-fluorochroman-2-carboxylate, rac-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic Acid Ethyl Ester, and more.
What is the InChIKey for Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
The InChIKey is XLTYRVHHKJREDL-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester have?
It has 4 hydrogen bond acceptor counts.
What is the exact mass of Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
The exact mass is 224.08487243 g/mol.
Is Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester a canonicalized compound?
Yes, it is canonicalized.
What is the XLogP3-AA value for Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
The XLogP3-AA value is 2.7.
How many rotatable bond counts does Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester have?
It has 3 rotatable bond counts.
What is the topological polar surface area of Rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester?
The topological polar surface area is 35.5 Ų.
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