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116718-59-3

116718-59-3 | 2H-1-Benzopyran-6,7-diol, 3,4-dihydro-3-(4-methylphenyl)-

CAS No: 116718-59-3 Catalog No: AG000D5E MDL No:

Product Description

Catalog Number:
AG000D5E
Chemical Name:
2H-1-Benzopyran-6,7-diol, 3,4-dihydro-3-(4-methylphenyl)-
CAS Number:
116718-59-3
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
3-(4-methylphenyl)-3,4-dihydro-2H-chromene-6,7-diol
InChI:
InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3
InChI Key:
OKUSEYCLSBRHFB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1COc2c(C1)cc(c(c2)O)O
NSC Number:
600286

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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