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90892-26-5

90892-26-5 | 4H-1-Benzopyran-4-one, 6-acetyl-2-(1-hydroxyethyl)-3-methyl-

CAS No: 90892-26-5 Catalog No: AG006GP4 MDL No:

Product Description

Catalog Number:
AG006GP4
Chemical Name:
4H-1-Benzopyran-4-one, 6-acetyl-2-(1-hydroxyethyl)-3-methyl-
CAS Number:
90892-26-5
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
6-acetyl-2-(1-hydroxyethyl)-3-methylchromen-4-one
InChI:
InChI=1S/C14H14O4/c1-7-13(17)11-6-10(8(2)15)4-5-12(11)18-14(7)9(3)16/h4-6,9,16H,1-3H3
InChI Key:
ISGSAMMAAKATCW-UHFFFAOYSA-N
SMILES:
CC(c1oc2ccc(cc2c(=O)c1C)C(=O)C)O

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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