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69912-75-0 | 4'-O-Methylcatechin
CAS No: 69912-75-0 Catalog No: AG005H1Z MDL No:
Product Description
Catalog Number:
AG005H1Z
Chemical Name:
4'-O-Methylcatechin
CAS Number:
69912-75-0
Molecular Formula:
C16H16O6
Molecular Weight:
304.2946
IUPAC Name:
(2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI:
InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
InChI Key:
ZHDMPVIDHWJGTN-XJKSGUPXSA-N
SMILES:
COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(c2C[C@@H]1O)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
304.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.298g/mol
Monoisotopic Mass:
304.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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