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116194-64-0 | 2H-1-Benzopyran-4-ol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-
CAS No: 116194-64-0 Catalog No: AG000BV8 MDL No:
Product Description
Catalog Number:
AG000BV8
Chemical Name:
2H-1-Benzopyran-4-ol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-
CAS Number:
116194-64-0
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
IUPAC Name:
2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
InChI:
InChI=1S/C17H18O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-9,13,16,18H,10H2,1-2H3
InChI Key:
BCMWOIHSDKTDPK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1CC(O)c2c(O1)cccc2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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