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123886-62-4 | Ethanol, 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]-
CAS No: 123886-62-4 Catalog No: AG000L72 MDL No:
Product Description
Catalog Number:
AG000L72
Chemical Name:
Ethanol, 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]-
CAS Number:
123886-62-4
Molecular Formula:
C26H26O4
Molecular Weight:
402.4822
IUPAC Name:
2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethanol
InChI:
InChI=1S/C26H26O4/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17,27H,15-16H2,1-3H3
InChI Key:
MABKBYVHTXAUDN-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)C1=C(c2ccccc2)C(Oc2c1ccc(c2)OC)(C)C
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.183g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.49g/mol
Monoisotopic Mass:
402.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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