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89556-67-2 | Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)-
CAS No: 89556-67-2 Catalog No: AG0086XN MDL No:
Product Description
Catalog Number:
AG0086XN
Chemical Name:
Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)-
CAS Number:
89556-67-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
4-butan-2-yl-2,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C13H18O3/c1-5-9(2)11-7-12(15-3)10(8-14)6-13(11)16-4/h6-9H,5H2,1-4H3
InChI Key:
WHITVDMDFRMBIU-UHFFFAOYSA-N
SMILES:
CCC(c1cc(OC)c(cc1OC)C=O)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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