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30992-74-6 | 2H-1-Benzopyran-2-one, 4,5-dihydroxy-
CAS No: 30992-74-6 Catalog No: AG0031VF MDL No:
Product Description
Catalog Number:
AG0031VF
Chemical Name:
2H-1-Benzopyran-2-one, 4,5-dihydroxy-
CAS Number:
30992-74-6
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
IUPAC Name:
4,5-dihydroxychromen-2-one
InChI:
InChI=1S/C9H6O4/c10-5-2-1-3-7-9(5)6(11)4-8(12)13-7/h1-4,10-11H
InChI Key:
SSCSOYWLYNIXMZ-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(o1)cccc2O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.143g/mol
Monoisotopic Mass:
178.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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