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117407-00-8 | 2(3H)-Furanone, dihydro-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 117407-00-8 Catalog No: AG000EA5 MDL No:
Product Description
Catalog Number:
AG000EA5
Chemical Name:
2(3H)-Furanone, dihydro-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
117407-00-8
Molecular Formula:
C24H30O8
Molecular Weight:
446.4902
IUPAC Name:
3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
InChI:
InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3
InChI Key:
VUNCHONBJWJYID-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)CC1C(=O)OCC1Cc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.194g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.496g/mol
Monoisotopic Mass:
446.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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