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122045-63-0 | Furan, 3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydro-, (3R,4R)-rel-
CAS No: 122045-63-0 Catalog No: AG0016OT MDL No:
Product Description
Catalog Number:
AG0016OT
Chemical Name:
Furan, 3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydro-, (3R,4R)-rel-
CAS Number:
122045-63-0
Molecular Formula:
C22H28O5
Molecular Weight:
372.4547
IUPAC Name:
3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolane
InChI:
InChI=1S/C22H28O5/c1-23-19-7-5-15(11-21(19)25-3)9-17-13-27-14-18(17)10-16-6-8-20(24-2)22(12-16)26-4/h5-8,11-12,17-18H,9-10,13-14H2,1-4H3
InChI Key:
DMDLIQAXFOCGBP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C[C@H]1COC[C@@H]1Cc1ccc(c(c1)OC)OC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.461g/mol
Monoisotopic Mass:
372.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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