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128428-13-7 | 4H-1-Benzopyran-4-one, 3-hydroxy-7-methoxy-
CAS No: 128428-13-7 Catalog No: AG000Y3E MDL No:
Product Description
Catalog Number:
AG000Y3E
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-7-methoxy-
CAS Number:
128428-13-7
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
3-hydroxy-7-methoxychromen-4-one
InChI:
InChI=1S/C10H8O4/c1-13-6-2-3-7-9(4-6)14-5-8(11)10(7)12/h2-5,11H,1H3
InChI Key:
RUHKWILQGBGFIK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)occ(c2=O)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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