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872183-27-2 | 3-ALLYL-4-ETHOXY-5-METHOXYBENZALDEHYDE
CAS No: 872183-27-2 Catalog No: AG004RQ0 MDL No:MFCD02629561
Product Description
Catalog Number:
AG004RQ0
Chemical Name:
3-ALLYL-4-ETHOXY-5-METHOXYBENZALDEHYDE
CAS Number:
872183-27-2
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD02629561
IUPAC Name:
4-ethoxy-3-methoxy-5-prop-2-enylbenzaldehyde
InChI:
InChI=1S/C13H16O3/c1-4-6-11-7-10(9-14)8-12(15-3)13(11)16-5-2/h4,7-9H,1,5-6H2,2-3H3
InChI Key:
KQKITKAUHIZELC-UHFFFAOYSA-N
SMILES:
C=CCc1cc(C=O)cc(c1OCC)OC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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