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872183-67-0 | 2-SEC-BUTOXY-3-METHOXYBENZALDEHYDE
CAS No: 872183-67-0 Catalog No: AG004RPX MDL No:MFCD02629694
Product Description
Catalog Number:
AG004RPX
Chemical Name:
2-SEC-BUTOXY-3-METHOXYBENZALDEHYDE
CAS Number:
872183-67-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD02629694
IUPAC Name:
2-butan-2-yloxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-4-9(2)15-12-10(8-13)6-5-7-11(12)14-3/h5-9H,4H2,1-3H3
InChI Key:
FHALBHJLYWQNFN-UHFFFAOYSA-N
SMILES:
CCC(Oc1c(OC)cccc1C=O)C
Properties
Complexity:
193
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:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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