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824952-08-1 | 1H-2-Benzopyran-1-one, 8-hydroxy-5-methoxy-3-(1E)-1-pentenyl-
CAS No: 824952-08-1 Catalog No: AG004VCN MDL No:
Product Description
Catalog Number:
AG004VCN
Chemical Name:
1H-2-Benzopyran-1-one, 8-hydroxy-5-methoxy-3-(1E)-1-pentenyl-
CAS Number:
824952-08-1
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
8-hydroxy-5-methoxy-3-pent-1-enylisochromen-1-one
InChI:
InChI=1S/C15H16O4/c1-3-4-5-6-10-9-11-13(18-2)8-7-12(16)14(11)15(17)19-10/h5-9,16H,3-4H2,1-2H3
InChI Key:
ZFVPNRFMCMVXRX-UHFFFAOYSA-N
SMILES:
CCC/C=C/c1oc(=O)c2c(c1)c(OC)ccc2O
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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