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6065-18-5 | 3-NITRO-3-PENTENE
CAS No: 6065-18-5 Catalog No: AG00F3CG MDL No:
Product Description
Catalog Number:
AG00F3CG
Chemical Name:
3-NITRO-3-PENTENE
CAS Number:
6065-18-5
IUPAC Name:
3-nitropent-2-ene
InChI:
InChI=1S/C5H9NO2/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3
InChI Key:
YIBXYMGXPUOVPU-UHFFFAOYSA-N
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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