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820237-57-8 | Benzaldehyde, 3-methyl-2,4-dipropoxy-
CAS No: 820237-57-8 Catalog No: AG0053C7 MDL No:
Product Description
Catalog Number:
AG0053C7
Chemical Name:
Benzaldehyde, 3-methyl-2,4-dipropoxy-
CAS Number:
820237-57-8
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
3-methyl-2,4-dipropoxybenzaldehyde
InChI:
InChI=1S/C14H20O3/c1-4-8-16-13-7-6-12(10-15)14(11(13)3)17-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
QCCUQDOAGTZDQC-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCC)C=O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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