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85607-71-2 | Benzaldehyde, 2-methoxy-4-(2-propynyloxy)-
CAS No: 85607-71-2 Catalog No: AG004QH8 MDL No:
Product Description
Catalog Number:
AG004QH8
Chemical Name:
Benzaldehyde, 2-methoxy-4-(2-propynyloxy)-
CAS Number:
85607-71-2
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
2-methoxy-4-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C11H10O3/c1-3-6-14-10-5-4-9(8-12)11(7-10)13-2/h1,4-5,7-8H,6H2,2H3
InChI Key:
KKEKQUFCHXYNCD-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)OC)C=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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