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116482-93-0 | 2H-1-Benzopyran-2-one, 7-(decyloxy)-
CAS No: 116482-93-0 Catalog No: AG000CMA MDL No:
Product Description
Catalog Number:
AG000CMA
Chemical Name:
2H-1-Benzopyran-2-one, 7-(decyloxy)-
CAS Number:
116482-93-0
Molecular Formula:
C19H26O3
Molecular Weight:
302.4079
IUPAC Name:
7-decoxychromen-2-one
InChI:
InChI=1S/C19H26O3/c1-2-3-4-5-6-7-8-9-14-21-17-12-10-16-11-13-19(20)22-18(16)15-17/h10-13,15H,2-9,14H2,1H3
InChI Key:
PJEJJLRRMCNXJX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc2c(c1)oc(=O)cc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.188g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.414g/mol
Monoisotopic Mass:
302.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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