Home Nitros 1-Cyclopropyl-2-nitroethanol

1-Cyclopropyl-2-nitroethanol

CAS No.:
54120-03-5
Catalog Number:
AG00E3W7
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
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Product Description
Catalog Number:
AG00E3W7
Chemical Name:
1-Cyclopropyl-2-nitroethanol
CAS Number:
54120-03-5
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
MDL Number:
MFCD20484062
IUPAC Name:
1-cyclopropyl-2-nitroethanol
InChI:
InChI=1S/C5H9NO3/c7-5(3-6(8)9)4-1-2-4/h4-5,7H,1-3H2
InChI Key:
IWZPNMNTVFKFOH-UHFFFAOYSA-N
SMILES:
OC(C1CC1)C[N+](=O)[O-]
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties