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100976-32-7 | 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-4-propyl-, ethyl ester
CAS No: 100976-32-7 Catalog No: AG0003D2 MDL No:
Product Description
Catalog Number:
AG0003D2
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-4-propyl-, ethyl ester
CAS Number:
100976-32-7
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
ethyl 2-oxo-4-propylchromene-3-carboxylate
InChI:
InChI=1S/C15H16O4/c1-3-7-11-10-8-5-6-9-12(10)19-15(17)13(11)14(16)18-4-2/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
BVIAIIBWEKKLCJ-UHFFFAOYSA-N
SMILES:
CCCc1c(C(=O)OCC)c(=O)oc2c1cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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