CAS
94349-36-7 Purity
96%
94349-36-7 Purity
96%
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Ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate
CAS
94349-45-8
Catalog Number
ACM94349458
Category
Other Products
Molecular Weight
252.306200 [g/mol]
Molecular Formula
C14H20O4
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Specification
Synonyms
EINECS 305-162-9, Ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate, 94349-45-8
IUPAC Name
ethyl 4,4-dimethyl-2-oxo-5,6,7,8-tetrahydro-3H-chromene-3-carboxylate
Canonical SMILES
CCOC(=O)C1C(=O)OC2=C(C1(C)C)CCCC2
InChI Key
AVEWKITZFFDLLF-UHFFFAOYSA-N
Boiling Point
369.2ºC at 760mmHg
Flash Point
182.3ºC
Density
1.13g/cm³
EC Number
305-162-9
Exact Mass
252.13600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
Molecular formula of the compound is C14H20O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 252.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 4,4-dimethyl-2-oxo-5,6,7,8-tetrahydro-3H-chromene-3-carboxylate.
What is the InChl of the compound?
The InChl of the compound is InChI=1S/C14H20O4/c1-4-17-12(15)11-13(16)18-10-8-6-5-7-9(10)14(11,2)3/h11H,4-8H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is AVEWKITZFFDLLF-UHFFFAOYSA-N.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
What is the exact mass of the compound?
The exact mass of the compound is 252.13615911 g/mol.
Does the compound have any defined bond stereocenter count?
No, the compound does not have any defined bond stereocenter count.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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94349-46-9 Purity
96%
94349-46-9 Purity
96%
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94349-48-1 Purity
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