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19090-96-1 | 2-Propenoic acid, 4-methyl-2-oxo-2H-1-benzopyran-6-yl ester
CAS No: 19090-96-1 Catalog No: AG002EWV MDL No:
Product Description
Catalog Number:
AG002EWV
Chemical Name:
2-Propenoic acid, 4-methyl-2-oxo-2H-1-benzopyran-6-yl ester
CAS Number:
19090-96-1
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
(4-methyl-2-oxochromen-6-yl) prop-2-enoate
InChI:
InChI=1S/C13H10O4/c1-3-12(14)16-9-4-5-11-10(7-9)8(2)6-13(15)17-11/h3-7H,1H2,2H3
InChI Key:
NEEGOLNIQBDAAZ-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc2c(c1)c(C)cc(=O)o2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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