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65712-73-4 | 2-BUTOXY-3-METHOXYBENZALDEHYDE
CAS No: 65712-73-4 Catalog No: AG006P5Y MDL No:MFCD07358568
Product Description
Catalog Number:
AG006P5Y
Chemical Name:
2-BUTOXY-3-METHOXYBENZALDEHYDE
CAS Number:
65712-73-4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD07358568
IUPAC Name:
2-butoxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h5-7,9H,3-4,8H2,1-2H3
InChI Key:
KFSWONZYRSVJJQ-UHFFFAOYSA-N
SMILES:
CCCCOc1c(OC)cccc1C=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:
2.6
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