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19040-67-6 | 2H-1-Benzopyran-2-one, 7,8-dihydroxy-4-propyl-
CAS No: 19040-67-6 Catalog No: AG002EJN MDL No:MFCD08705698
Product Description
Catalog Number:
AG002EJN
Chemical Name:
2H-1-Benzopyran-2-one, 7,8-dihydroxy-4-propyl-
CAS Number:
19040-67-6
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD08705698
IUPAC Name:
7,8-dihydroxy-4-propylchromen-2-one
InChI:
InChI=1S/C12H12O4/c1-2-3-7-6-10(14)16-12-8(7)4-5-9(13)11(12)15/h4-6,13,15H,2-3H2,1H3
InChI Key:
PHPUSFBIYOLWBJ-UHFFFAOYSA-N
SMILES:
CCCc1cc(=O)oc2c1ccc(c2O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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