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Home > Nitro Compounds > 1419518-51-6
1419518-51-6 | 3-(nitromethyl)oxetan-3-ol
CAS No: 1419518-51-6 Catalog No: AG01EMR9 MDL No:MFCD31618077
Product Description
Catalog Number:
AG01EMR9
Chemical Name:
3-(nitromethyl)oxetan-3-ol
CAS Number:
1419518-51-6
Molecular Formula:
C4H7NO4
Molecular Weight:
133.1027
MDL Number:
MFCD31618077
IUPAC Name:
3-(nitromethyl)oxetan-3-ol
InChI:
InChI=1S/C4H7NO4/c6-4(1-5(7)8)2-9-3-4/h6H,1-3H2
InChI Key:
JEPCBTMGAAIBML-UHFFFAOYSA-N
SMILES:
OC1(COC1)C[N+](=O)[O-]
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.103g/mol
Monoisotopic Mass:
133.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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