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72433-26-2 | 2H-1-Benzopyran-2-one, 4-(hydroxymethyl)-7-methoxy-
CAS No: 72433-26-2 Catalog No: AG005HKX MDL No:MFCD08443494
Product Description
Catalog Number:
AG005HKX
Chemical Name:
2H-1-Benzopyran-2-one, 4-(hydroxymethyl)-7-methoxy-
CAS Number:
72433-26-2
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD08443494
IUPAC Name:
4-(hydroxymethyl)-7-methoxychromen-2-one
InChI:
InChI=1S/C11H10O4/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5,12H,6H2,1H3
InChI Key:
VWIUIZNOOWXYFW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)cc2CO
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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