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Home > Aldehydes > 883538-71-4
883538-71-4 | 3-ISOPROPYL-4-PROPOXYBENZALDEHYDE
CAS No: 883538-71-4 Catalog No: AG01BWNA MDL No:MFCD06247932
Product Description
Catalog Number:
AG01BWNA
Chemical Name:
3-ISOPROPYL-4-PROPOXYBENZALDEHYDE
CAS Number:
883538-71-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD06247932
IUPAC Name:
3-propan-2-yl-4-propoxybenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-4-7-15-13-6-5-11(9-14)8-12(13)10(2)3/h5-6,8-10H,4,7H2,1-3H3
InChI Key:
UOPVFIMWMDSNBF-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C(C)C)C=O
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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