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145917-93-7 | 2H-1-Benzopyran-6,7-diol, 3-(4-hydroxyphenyl)-
CAS No: 145917-93-7 Catalog No: AG001DIG MDL No:
Product Description
Catalog Number:
AG001DIG
Chemical Name:
2H-1-Benzopyran-6,7-diol, 3-(4-hydroxyphenyl)-
CAS Number:
145917-93-7
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
IUPAC Name:
3-(4-hydroxyphenyl)-2H-chromene-6,7-diol
InChI:
InChI=1S/C15H12O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-7,16-18H,8H2
InChI Key:
DPGRBFWWYBMPIF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=Cc2c(OC1)cc(c(c2)O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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