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85060-01-1 | 3-NITRO-2-BUTANOLNITRONATE
CAS No: 85060-01-1 Catalog No: AG00GKU3 MDL No:
Product Description
Catalog Number:
AG00GKU3
Chemical Name:
3-NITRO-2-BUTANOLNITRONATE
CAS Number:
85060-01-1
IUPAC Name:
3-nitrobutan-2-olate
InChI:
InChI=1S/C4H8NO3/c1-3(4(2)6)5(7)8/h3-4H,1-2H3/q-1
InChI Key:
OXZAGPNRQUBQGM-UHFFFAOYSA-N
Properties
Complexity:
87.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.05g/mol
Formal Charge:
-1
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.112g/mol
Monoisotopic Mass:
118.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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