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Home > Aldehydes > 803745-70-2
803745-70-2 | Benzaldehyde, compd. with 2,5-bis(diphenylmethyl)-1,4-benzenediol(2:1)
CAS No: 803745-70-2 Catalog No: AG0053CX MDL No:
Product Description
Catalog Number:
AG0053CX
Chemical Name:
Benzaldehyde, compd. with 2,5-bis(diphenylmethyl)-1,4-benzenediol(2:1)
CAS Number:
803745-70-2
Molecular Formula:
C46H38O4
Molecular Weight:
654.7915
IUPAC Name:
benzaldehyde;2,5-dibenzhydrylbenzene-1,4-diol
InChI:
InChI=1S/C32H26O2.2C7H6O/c33-29-22-28(32(25-17-9-3-10-18-25)26-19-11-4-12-20-26)30(34)21-27(29)31(23-13-5-1-6-14-23)24-15-7-2-8-16-24;2*8-6-7-4-2-1-3-5-7/h1-22,31-34H;2*1-6H
InChI Key:
XXDOSIJRNQFLHJ-UHFFFAOYSA-N
SMILES:
Oc1cc(c(cc1C(c1ccccc1)c1ccccc1)O)C(c1ccccc1)c1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.277g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
654.806g/mol
Monoisotopic Mass:
654.277g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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