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62560-95-6 | Isodihydrofutoquinol A
CAS No: 62560-95-6 Catalog No: AG00EK7B MDL No:
Product Description
Catalog Number:
AG00EK7B
Chemical Name:
Isodihydrofutoquinol A
CAS Number:
62560-95-6
IUPAC Name:
(4R)-4-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C21H24O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-8,10-12,14H,1,6,9,13H2,2-4H3/t14-,21+/m1/s1
InChI Key:
SMOHLDSEWHACKE-SZNDQCEHSA-N
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
356.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.418g/mol
Monoisotopic Mass:
356.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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