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29978-83-4 | 2-(2-PROPYNYLOXY)BENZENECARBALDEHYDE
CAS No: 29978-83-4 Catalog No: AG00BD14 MDL No:MFCD02380378
Product Description
Catalog Number:
AG00BD14
Chemical Name:
2-(2-PROPYNYLOXY)BENZENECARBALDEHYDE
CAS Number:
29978-83-4
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD02380378
IUPAC Name:
2-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C10H8O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h1,3-6,8H,7H2
InChI Key:
PEERMPFPCWSJLC-UHFFFAOYSA-N
SMILES:
C#CCOc1ccccc1C=O
Properties
Complexity:
189
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:
1.8
Literature
| Title | Journal |
|---|---|
| Regioselective synthesis and structural elucidation of 1,4-disubstituted 1,2,3-triazole derivatives using 1D and 2D NMR spectral techniques. | Magnetic resonance in chemistry : MRC 20111201 |
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