Home Aminos 4-Hexynoic acid, 2-amino-, methyl ester

4-Hexynoic acid, 2-amino-, methyl ester

CAS No.:
874097-01-5
Catalog Number:
AG008DSH
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
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Product Description
Catalog Number:
AG008DSH
Chemical Name:
4-Hexynoic acid, 2-amino-, methyl ester
CAS Number:
874097-01-5
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD19661133
IUPAC Name:
methyl 2-aminohex-4-ynoate
InChI:
InChI=1S/C7H11NO2/c1-3-4-5-6(8)7(9)10-2/h6H,5,8H2,1-2H3
InChI Key:
KPIICCBOPBJQFA-UHFFFAOYSA-N
SMILES:
CC#CCC(C(=O)OC)N
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties