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Home > Nitro Compounds > 1937358-65-0
1937358-65-0 | methyl 3-hydroxy-2-nitrosopent-2-enoate
CAS No: 1937358-65-0 Catalog No: AG019UH4 MDL No:MFCD18834359
Product Description
Catalog Number:
AG019UH4
Chemical Name:
methyl 3-hydroxy-2-nitrosopent-2-enoate
CAS Number:
1937358-65-0
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
MDL Number:
MFCD18834359
IUPAC Name:
methyl 3-hydroxy-2-nitrosopent-2-enoate
InChI:
InChI=1S/C6H9NO4/c1-3-4(8)5(7-10)6(9)11-2/h8H,3H2,1-2H3
InChI Key:
BHBYGTHVHISSFS-UHFFFAOYSA-N
SMILES:
O=NC(=C(CC)O)C(=O)OC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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