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1443349-02-7 | 4-Methyl-3-iso-pentoxybenzaldehyde
CAS No: 1443349-02-7 Catalog No: AG01FE8C MDL No:
Product Description
Catalog Number:
AG01FE8C
Chemical Name:
4-Methyl-3-iso-pentoxybenzaldehyde
CAS Number:
1443349-02-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
4-methyl-3-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C13H18O2/c1-10(2)6-7-15-13-8-12(9-14)5-4-11(13)3/h4-5,8-10H,6-7H2,1-3H3
InChI Key:
MBLYBMMENHIFSG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OCCC(C)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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