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23053-31-8 | 2H-Naphtho[1,2-b]pyran-4-carboxylic acid, 2-oxo-, ethyl ester
CAS No: 23053-31-8 Catalog No: AG002M11 MDL No:
Product Description
Catalog Number:
AG002M11
Chemical Name:
2H-Naphtho[1,2-b]pyran-4-carboxylic acid, 2-oxo-, ethyl ester
CAS Number:
23053-31-8
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
ethyl 2-oxobenzo[h]chromene-4-carboxylate
InChI:
InChI=1S/C16H12O4/c1-2-19-16(18)13-9-14(17)20-15-11-6-4-3-5-10(11)7-8-12(13)15/h3-9H,2H2,1H3
InChI Key:
ZZDXDKOLTSOKLH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)oc2c1ccc1c2cccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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