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1379222-07-7 | 3-iso-Butoxy-4-methylbenzaldehyde
CAS No: 1379222-07-7 Catalog No: AG01FEEY MDL No:
Product Description
Catalog Number:
AG01FEEY
Chemical Name:
3-iso-Butoxy-4-methylbenzaldehyde
CAS Number:
1379222-07-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-methyl-3-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C12H16O2/c1-9(2)8-14-12-6-11(7-13)5-4-10(12)3/h4-7,9H,8H2,1-3H3
InChI Key:
XFMXWHORSMGLNL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OCC(C)C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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