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23680-40-2 | 2-Propynoic acid, 3-bromo-, methyl ester
CAS No: 23680-40-2 Catalog No: AG002O5H MDL No:MFCD22989330
Product Description
Catalog Number:
AG002O5H
Chemical Name:
2-Propynoic acid, 3-bromo-, methyl ester
CAS Number:
23680-40-2
Molecular Formula:
C4H3BrO2
Molecular Weight:
162.9694
MDL Number:
MFCD22989330
IUPAC Name:
methyl 3-bromoprop-2-ynoate
InChI:
InChI=1S/C4H3BrO2/c1-7-4(6)2-3-5/h1H3
InChI Key:
PITMUHRRCBFULF-UHFFFAOYSA-N
SMILES:
COC(=O)C#CBr
NSC Number:
163453
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.932g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.97g/mol
Monoisotopic Mass:
161.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis of 1-methyl-3-oxo-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester. | Molecules (Basel, Switzerland) 20051130 |
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