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Home > Other Building Blocks > 116543-90-9
116543-90-9 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(hydroxymethyl)-
CAS No: 116543-90-9 Catalog No: AG000CQV MDL No:
Product Description
Catalog Number:
AG000CQV
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(hydroxymethyl)-
CAS Number:
116543-90-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2-(hydroxymethyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C10H10O3/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,11H,5-6H2
InChI Key:
RLGCSXCBIHAHBM-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)c2c(O1)cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Isolation and anti-fungal activities of 2-hydroxymethyl-chroman-4-one Produced by Burkholderia sp. MSSP. | The Journal of antibiotics 20041101 |
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