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Home > Aldehydes > 872183-39-6
872183-39-6 | 3-ALLYL-5-METHOXY-4-(2-PROPYN-1-YLOXY)BENZALDEHYDE
CAS No: 872183-39-6 Catalog No: AG004JE8 MDL No:MFCD02629580
Product Description
Catalog Number:
AG004JE8
Chemical Name:
3-ALLYL-5-METHOXY-4-(2-PROPYN-1-YLOXY)BENZALDEHYDE
CAS Number:
872183-39-6
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
MDL Number:
MFCD02629580
IUPAC Name:
3-methoxy-5-prop-2-enyl-4-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C14H14O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h2,4,8-10H,1,6-7H2,3H3
InChI Key:
CXEUEEOWEPCZRS-UHFFFAOYSA-N
SMILES:
C#CCOc1c(CC=C)cc(cc1OC)C=O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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