Home Other Building Blocks methyl 2-acetylpent-4-ynoate

methyl 2-acetylpent-4-ynoate

CAS No.:
101413-11-0
Catalog Number:
AG01BJ1P
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
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Product Description
Catalog Number:
AG01BJ1P
Chemical Name:
methyl 2-acetylpent-4-ynoate
CAS Number:
101413-11-0
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD24688148
IUPAC Name:
methyl 2-acetylpent-4-ynoate
InChI:
InChI=1S/C8H10O3/c1-4-5-7(6(2)9)8(10)11-3/h1,7H,5H2,2-3H3
InChI Key:
YJEMKJWWQWGHCA-UHFFFAOYSA-N
SMILES:
C#CCC(C(=O)OC)C(=O)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties