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Home > Aldehydes > 861528-78-1
861528-78-1 | 3-ALLYL-4-(ALLYLOXY)-5-METHOXYBENZALDEHYDE
CAS No: 861528-78-1 Catalog No: AG004KUS MDL No:MFCD02629579
Product Description
Catalog Number:
AG004KUS
Chemical Name:
3-ALLYL-4-(ALLYLOXY)-5-METHOXYBENZALDEHYDE
CAS Number:
861528-78-1
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD02629579
IUPAC Name:
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzaldehyde
InChI:
InChI=1S/C14H16O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h4-5,8-10H,1-2,6-7H2,3H3
InChI Key:
RPPBOALIYMJLNA-UHFFFAOYSA-N
SMILES:
C=CCOc1c(CC=C)cc(cc1OC)C=O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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