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Home > Aldehydes > 142686-55-3
142686-55-3 | 5-ETHYNYL-2-METHOXY-BENZALDEHYDE
CAS No: 142686-55-3 Catalog No: AG007ZBN MDL No:
Product Description
Catalog Number:
AG007ZBN
Chemical Name:
5-ETHYNYL-2-METHOXY-BENZALDEHYDE
CAS Number:
142686-55-3
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
5-ethynyl-2-methoxybenzaldehyde
InChI:
InChI=1S/C10H8O2/c1-3-8-4-5-10(12-2)9(6-8)7-11/h1,4-7H,2H3
InChI Key:
VCOCSKZHQUNZAL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#C)ccc1OC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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