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Home > Other Heterocycles > 3127-14-8
3127-14-8 | 4,4,4',4'-Tetramethyl-2,2'-spirobi[chroman]-7,7'-diol
CAS No: 3127-14-8 Catalog No: AG003UF3 MDL No:MFCD00145320
Product Description
Catalog Number:
AG003UF3
Chemical Name:
4,4,4',4'-Tetramethyl-2,2'-spirobi[chroman]-7,7'-diol
CAS Number:
3127-14-8
Molecular Formula:
C21H24O4
Molecular Weight:
340.4129
MDL Number:
MFCD00145320
IUPAC Name:
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol
InChI:
InChI=1S/C21H24O4/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10,22-23H,11-12H2,1-4H3
InChI Key:
BWQOXWHQZXVXSD-UHFFFAOYSA-N
SMILES:
CC1(C)CC2(CC(C)(C)c3c(O2)cc(cc3)O)Oc2c1ccc(c2)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.419g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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