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173724-15-7 | Benzaldehyde, 2-(ethynyloxy)-
CAS No: 173724-15-7 Catalog No: AG001Z4R MDL No:
Product Description
Catalog Number:
AG001Z4R
Chemical Name:
Benzaldehyde, 2-(ethynyloxy)-
CAS Number:
173724-15-7
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
IUPAC Name:
2-ethynoxybenzaldehyde
InChI:
InChI=1S/C9H6O2/c1-2-11-9-6-4-3-5-8(9)7-10/h1,3-7H
InChI Key:
FVHMICYPBJJKRS-UHFFFAOYSA-N
SMILES:
C#COc1ccccc1C=O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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