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71404-82-5 | 2H-1-Benzopyran-2-one, 7-(hexadecyloxy)-4-methyl-
CAS No: 71404-82-5 Catalog No: AG005IYX MDL No:
Product Description
Catalog Number:
AG005IYX
Chemical Name:
2H-1-Benzopyran-2-one, 7-(hexadecyloxy)-4-methyl-
CAS Number:
71404-82-5
Molecular Formula:
C26H40O3
Molecular Weight:
400.5940
IUPAC Name:
7-hexadecoxy-4-methylchromen-2-one
InChI:
InChI=1S/C26H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-23-17-18-24-22(2)20-26(27)29-25(24)21-23/h17-18,20-21H,3-16,19H2,1-2H3
InChI Key:
NNSZCOQRSLNMKW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc2c(c1)oc(=O)cc2C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.298g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.603g/mol
Monoisotopic Mass:
400.298g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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