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Home > Aldehydes > 120873-97-4
120873-97-4 | Benzaldehyde, 4-[(2-ethylhexyl)oxy]-3-methoxy-
CAS No: 120873-97-4 Catalog No: AG0074GX MDL No:
Product Description
Catalog Number:
AG0074GX
Chemical Name:
Benzaldehyde, 4-[(2-ethylhexyl)oxy]-3-methoxy-
CAS Number:
120873-97-4
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
4-(2-ethylhexoxy)-3-methoxybenzaldehyde
InChI:
InChI=1S/C16H24O3/c1-4-6-7-13(5-2)12-19-15-9-8-14(11-17)10-16(15)18-3/h8-11,13H,4-7,12H2,1-3H3
InChI Key:
VPUXLKRUNXCFRC-UHFFFAOYSA-N
SMILES:
CCCCC(COc1ccc(cc1OC)C=O)CC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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