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34127-96-3 | Benzaldehyde,3-butoxy-4-methoxy-
CAS No: 34127-96-3 Catalog No: AG007HBT MDL No:MFCD00831062
Product Description
Catalog Number:
AG007HBT
Chemical Name:
Benzaldehyde,3-butoxy-4-methoxy-
CAS Number:
34127-96-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00831062
IUPAC Name:
3-butoxy-4-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-4-7-15-12-8-10(9-13)5-6-11(12)14-2/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
CSSRHTDXZIBTMI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCC)C=O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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