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125124-65-4 | 2H-1-Benzopyran-2-one, 3,8-dihydroxy-4-methoxy-
CAS No: 125124-65-4 Catalog No: AG000N7U MDL No:
Product Description
Catalog Number:
AG000N7U
Chemical Name:
2H-1-Benzopyran-2-one, 3,8-dihydroxy-4-methoxy-
CAS Number:
125124-65-4
Molecular Formula:
C10H8O5
Molecular Weight:
208.1675
IUPAC Name:
3,8-dihydroxy-4-methoxychromen-2-one
InChI:
InChI=1S/C10H8O5/c1-14-9-5-3-2-4-6(11)8(5)15-10(13)7(9)12/h2-4,11-12H,1H3
InChI Key:
VZGMEFIDTOGMSO-UHFFFAOYSA-N
SMILES:
COc1c2cccc(c2oc(=O)c1O)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.169g/mol
Monoisotopic Mass:
208.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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