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402573-88-0 | BENZALDEHYDE, 3-(2-HYDROXY-1-PHENYLETHOXY)-4-(2-PHENYLETHOXY)-
CAS No: 402573-88-0 Catalog No: AG0073SI MDL No:
Product Description
Catalog Number:
AG0073SI
Chemical Name:
BENZALDEHYDE, 3-(2-HYDROXY-1-PHENYLETHOXY)-4-(2-PHENYLETHOXY)-
CAS Number:
402573-88-0
Molecular Formula:
C23H22O4
Molecular Weight:
362.4184
IUPAC Name:
3-(2-hydroxy-1-phenylethoxy)-4-(2-phenylethoxy)benzaldehyde
InChI:
InChI=1S/C23H22O4/c24-16-19-11-12-21(26-14-13-18-7-3-1-4-8-18)22(15-19)27-23(17-25)20-9-5-2-6-10-20/h1-12,15-16,23,25H,13-14,17H2
InChI Key:
UQSALNSLVTWVFD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC(c1ccccc1)CO)OCCc1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.425g/mol
Monoisotopic Mass:
362.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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