Home Other Building Blocks 2-Hexynoic acid, methyl ester

2-Hexynoic acid, methyl ester

CAS No.:
18937-79-6
Catalog Number:
AG002DLO
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG002DLO
Chemical Name:
2-Hexynoic acid, methyl ester
CAS Number:
18937-79-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00041642
IUPAC Name:
methyl hex-2-ynoate
InChI:
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-4H2,1-2H3
InChI Key:
DHZPZBFOJDXEHS-UHFFFAOYSA-N
SMILES:
CCCC#CC(=O)OC
EC Number:
242-690-8
NSC Number:
289570
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties