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88631-81-6 | Benzaldehyde, 6-methyl-3-(1-methylethyl)-2-(phenylmethoxy)-
CAS No: 88631-81-6 Catalog No: AG004A7J MDL No:
Product Description
Catalog Number:
AG004A7J
Chemical Name:
Benzaldehyde, 6-methyl-3-(1-methylethyl)-2-(phenylmethoxy)-
CAS Number:
88631-81-6
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
IUPAC Name:
6-methyl-2-phenylmethoxy-3-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C18H20O2/c1-13(2)16-10-9-14(3)17(11-19)18(16)20-12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChI Key:
CWIAQSZMGHUFDB-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)ccc(c1OCc1ccccc1)C(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.146g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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