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24493-46-7 | 2H-1-Benzopyran-2-one, 3-(cyclopropylcarbonyl)-4-hydroxy-
CAS No: 24493-46-7 Catalog No: AG002OB7 MDL No:
Product Description
Catalog Number:
AG002OB7
Chemical Name:
2H-1-Benzopyran-2-one, 3-(cyclopropylcarbonyl)-4-hydroxy-
CAS Number:
24493-46-7
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
3-(cyclopropanecarbonyl)-4-hydroxychromen-2-one
InChI:
InChI=1S/C13H10O4/c14-11(7-5-6-7)10-12(15)8-3-1-2-4-9(8)17-13(10)16/h1-4,7,15H,5-6H2
InChI Key:
RNWLOIIIOUQVPR-UHFFFAOYSA-N
SMILES:
O=C(c1c(=O)oc2c(c1O)cccc2)C1CC1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Enzyme inhibition potency enhancement by active site metal chelating and hydrogen bonding induced conformation-restricted cyclopropanecarbonyl derivatives. | Bioorganic & medicinal chemistry letters 20061201 |
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