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150599-18-1 | 3H-Naphtho[2,1-b]pyran-3-one, 1,2-dihydro-9-methoxy-
CAS No: 150599-18-1 Catalog No: AG001MQN MDL No:
Product Description
Catalog Number:
AG001MQN
Chemical Name:
3H-Naphtho[2,1-b]pyran-3-one, 1,2-dihydro-9-methoxy-
CAS Number:
150599-18-1
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
9-methoxy-1,2-dihydrobenzo[f]chromen-3-one
InChI:
InChI=1S/C14H12O3/c1-16-10-4-2-9-3-6-13-11(12(9)8-10)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3
InChI Key:
UEOZJWFKTYYRGN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1CCC(=O)Oc1cc2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Inhibitors of Sir2: evaluation of splitomicin analogues. | Journal of medicinal chemistry 20040506 |
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