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190786-13-1 | Benzaldehyde, 4-ethynyl-3-methoxy-
CAS No: 190786-13-1 Catalog No: AG002ET2 MDL No:
Product Description
Catalog Number:
AG002ET2
Chemical Name:
Benzaldehyde, 4-ethynyl-3-methoxy-
CAS Number:
190786-13-1
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
4-ethynyl-3-methoxybenzaldehyde
InChI:
InChI=1S/C10H8O2/c1-3-9-5-4-8(7-11)6-10(9)12-2/h1,4-7H,2H3
InChI Key:
AMBBYARRGQRQOW-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1C#C
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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