Home Other Building Blocks 2H-1-Benzopyran-2-one, 4,5,7-trihydroxy-

2H-1-Benzopyran-2-one, 4,5,7-trihydroxy-

CAS No.:
17575-26-7
Catalog Number:
AG002163
Molecular Formula:
C9H6O5
Molecular Weight:
194.1409
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Product Description
Catalog Number:
AG002163
Chemical Name:
2H-1-Benzopyran-2-one, 4,5,7-trihydroxy-
CAS Number:
17575-26-7
Molecular Formula:
C9H6O5
Molecular Weight:
194.1409
MDL Number:
MFCD01731740
IUPAC Name:
4,5,7-trihydroxychromen-2-one
InChI:
InChI=1S/C9H6O5/c10-4-1-5(11)9-6(12)3-8(13)14-7(9)2-4/h1-3,10-12H
InChI Key:
HPNWGYCBCHLEMW-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)oc(=O)cc2O
UNII:
YQB3NZR7WI
NSC Number:
115528
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.022g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
194.142g/mol
Monoisotopic Mass:
194.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties