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Home > Aldehydes > 114309-69-2
114309-69-2 | [2,2'-Binaphthalene]-8-carboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-
CAS No: 114309-69-2 Catalog No: AG000B19 MDL No:
Product Description
Catalog Number:
AG000B19
Chemical Name:
[2,2'-Binaphthalene]-8-carboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-
CAS Number:
114309-69-2
Molecular Formula:
C29H30O7
Molecular Weight:
490.5443
IUPAC Name:
2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-(1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalene-1-carbaldehyde
InChI:
InChI=1S/C29H30O7/c1-11(2)20-15-7-13(5)22(25(32)16(15)9-19(31)27(20)34)23-14(6)8-17-21(12(3)4)29(36)26(33)18(10-30)24(17)28(23)35/h7-12,31-36H,1-6H3
InChI Key:
ONONBUNYLFASFU-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)cc(c(c2C(C)C)O)O)C(C)C
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.199g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
490.552g/mol
Monoisotopic Mass:
490.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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