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21020-26-8

21020-26-8 | 1-Pentyne, 3-ethyl-

CAS No: 21020-26-8 Catalog No: AG002KNI MDL No:MFCD23136886

Product Description

Catalog Number:
AG002KNI
Chemical Name:
1-Pentyne, 3-ethyl-
CAS Number:
21020-26-8
Molecular Formula:
C7H12
Molecular Weight:
96.1702
MDL Number:
MFCD23136886
IUPAC Name:
3-ethylpent-1-yne
InChI:
InChI=1S/C7H12/c1-4-7(5-2)6-3/h1,7H,5-6H2,2-3H3
InChI Key:
WGWGXWSBPXLXTA-UHFFFAOYSA-N
SMILES:
CCC(C#C)CC

Properties

Complexity:
69.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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