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Home > Aldehydes > 897950-01-5
897950-01-5 | Benzaldehyde, 3-methoxy-5-(3-methoxypropoxy)-
CAS No: 897950-01-5 Catalog No: AG003ZO9 MDL No:
Product Description
Catalog Number:
AG003ZO9
Chemical Name:
Benzaldehyde, 3-methoxy-5-(3-methoxypropoxy)-
CAS Number:
897950-01-5
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3-methoxy-5-(3-methoxypropoxy)benzaldehyde
InChI:
InChI=1S/C12H16O4/c1-14-4-3-5-16-12-7-10(9-13)6-11(8-12)15-2/h6-9H,3-5H2,1-2H3
InChI Key:
YHXVYCQKFBTFLI-UHFFFAOYSA-N
SMILES:
COCCCOc1cc(OC)cc(c1)C=O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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