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88212-13-9 | phenylacetaldehyde dibenzyl acetal
CAS No: 88212-13-9 Catalog No: AG004BY3 MDL No:
Product Description
Catalog Number:
AG004BY3
Chemical Name:
phenylacetaldehyde dibenzyl acetal
CAS Number:
88212-13-9
Molecular Formula:
C22H22O2
Molecular Weight:
318.4089
IUPAC Name:
(4R,12R,20R,24S,26R,28R)-4,12,20,24,26,28-hexahydroxytritriacontane-2,10,18-trione
InChI:
InChI=1S/C33H62O9/c1-3-4-7-13-30(39)23-33(42)24-32(41)19-12-18-31(40)22-29(38)17-11-6-10-16-28(37)21-27(36)15-9-5-8-14-26(35)20-25(2)34/h26,28,30-33,35,37,39-42H,3-24H2,1-2H3/t26-,28-,30-,31-,32+,33-/m1/s1
InChI Key:
CGWFZAGABHBJQV-WAZNUCPLSA-N
SMILES:
c1ccc(cc1)CC(OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
602.439g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
602.85g/mol
Monoisotopic Mass:
602.439g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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