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88269-27-6 | 2H-1-Benzopyran-4-ol, 3,4-dihydro-2-(4-methoxyphenyl)-, cis-
CAS No: 88269-27-6 Catalog No: AG0049YL MDL No:
Product Description
Catalog Number:
AG0049YL
Chemical Name:
2H-1-Benzopyran-4-ol, 3,4-dihydro-2-(4-methoxyphenyl)-, cis-
CAS Number:
88269-27-6
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
(2R,4R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
InChI:
InChI=1S/C16H16O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,14,16-17H,10H2,1H3/t14-,16-/m1/s1
InChI Key:
NIGRNYYYGGSFAC-GDBMZVCRSA-N
SMILES:
COc1ccc(cc1)[C@H]1C[C@@H](O)c2c(O1)cccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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