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25014-11-3 | 2-methylbuta-1,3-diene; prop-2-enenitrile
CAS No: 25014-11-3 Catalog No: AG002Q6N MDL No:
Product Description
Catalog Number:
AG002Q6N
Chemical Name:
2-methylbuta-1,3-diene; prop-2-enenitrile
CAS Number:
25014-11-3
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
IUPAC Name:
2-methylbuta-1,3-diene;prop-2-enenitrile
InChI:
InChI=1S/C5H8.C3H3N/c1-4-5(2)3;1-2-3-4/h4H,1-2H2,3H3;2H,1H2
InChI Key:
CFEMBVVZPUEPPP-UHFFFAOYSA-N
SMILES:
C=CC(=C)C.C=CC#N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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