Home Other Building Blocks 2-Pentynoic acid, ethyl ester

2-Pentynoic acid, ethyl ester

CAS No.:
55314-57-3
Catalog Number:
AG0037A6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG0037A6
Chemical Name:
2-Pentynoic acid, ethyl ester
CAS Number:
55314-57-3
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00015221
IUPAC Name:
ethyl pent-2-ynoate
InChI:
InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3
InChI Key:
XDPRPKSTFBPPHU-UHFFFAOYSA-N
SMILES:
CCC#CC(=O)OCC
EC Number:
259-588-4
NSC Number:
190964
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties