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403507-38-0 | Benzaldehyde, 2-butoxy-5-methoxy-
CAS No: 403507-38-0 Catalog No: AG0073F4 MDL No:
Product Description
Catalog Number:
AG0073F4
Chemical Name:
Benzaldehyde, 2-butoxy-5-methoxy-
CAS Number:
403507-38-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
2-butoxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
FFOPXTXCKNPWPB-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C=O)OC
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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