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161939-14-6 | 2H-Naphtho[1,2-b]pyran, 2,2-bis(4-methoxyphenyl)-5,6-dimethyl-
CAS No: 161939-14-6 Catalog No: AG001SIL MDL No:
Product Description
Catalog Number:
AG001SIL
Chemical Name:
2H-Naphtho[1,2-b]pyran, 2,2-bis(4-methoxyphenyl)-5,6-dimethyl-
CAS Number:
161939-14-6
Molecular Formula:
C29H26O3
Molecular Weight:
422.5149
IUPAC Name:
2,2-bis(4-methoxyphenyl)-5,6-dimethylbenzo[h]chromene
InChI:
InChI=1S/C29H26O3/c1-19-20(2)26-17-18-29(21-9-13-23(30-3)14-10-21,22-11-15-24(31-4)16-12-22)32-28(26)27-8-6-5-7-25(19)27/h5-18H,1-4H3
InChI Key:
SQWFNVMZGIOFHT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(C=Cc2c(O1)c1ccccc1c(c2C)C)c1ccc(cc1)OC
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.188g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.524g/mol
Monoisotopic Mass:
422.188g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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