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28656-24-8 | 3H-Naphtho[2,1-b]pyran, 3,3-bis(2-methoxyphenyl)-
CAS No: 28656-24-8 Catalog No: AG002VZO MDL No:
Product Description
Catalog Number:
AG002VZO
Chemical Name:
3H-Naphtho[2,1-b]pyran, 3,3-bis(2-methoxyphenyl)-
CAS Number:
28656-24-8
Molecular Formula:
C27H22O3
Molecular Weight:
394.4618
IUPAC Name:
3,3-bis(2-methoxyphenyl)benzo[f]chromene
InChI:
InChI=1S/C27H22O3/c1-28-25-13-7-5-11-22(25)27(23-12-6-8-14-26(23)29-2)18-17-21-20-10-4-3-9-19(20)15-16-24(21)30-27/h3-18H,1-2H3
InChI Key:
VVFUMKJDZQNZMG-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1(C=Cc2c(O1)ccc1c2cccc1)c1ccccc1OC
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.47g/mol
Monoisotopic Mass:
394.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| 3,3-Bis(2-methoxyphenyl)-3H-benzo[f]chromene. | Acta crystallographica. Section C, Crystal structure communications 20041001 |
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