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88187-10-4 | 2H-1-Benzopyran-3-ol, 3,4-dihydro-2,3-dimethoxy-2-(4-methoxyphenyl)-
CAS No: 88187-10-4 Catalog No: AG004E2B MDL No:
Product Description
Catalog Number:
AG004E2B
Chemical Name:
2H-1-Benzopyran-3-ol, 3,4-dihydro-2,3-dimethoxy-2-(4-methoxyphenyl)-
CAS Number:
88187-10-4
Molecular Formula:
C18H20O5
Molecular Weight:
316.3484
IUPAC Name:
2,3-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-3-ol
InChI:
InChI=1S/C18H20O5/c1-20-15-10-8-14(9-11-15)18(22-3)17(19,21-2)12-13-6-4-5-7-16(13)23-18/h4-11,19H,12H2,1-3H3
InChI Key:
LEIAAEBSJFQCNM-UHFFFAOYSA-N
SMILES:
COC1(Oc2ccccc2CC1(O)OC)c1ccc(cc1)OC
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.353g/mol
Monoisotopic Mass:
316.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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