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Home > Nitro Compounds > 1197420-18-0
1197420-18-0 | 1-cyclopropyl-2-(2-methoxy-4-nitrophenoxy)ethanol
CAS No: 1197420-18-0 Catalog No: AG01DHR6 MDL No:
Product Description
Catalog Number:
AG01DHR6
Chemical Name:
1-cyclopropyl-2-(2-methoxy-4-nitrophenoxy)ethanol
CAS Number:
1197420-18-0
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
IUPAC Name:
1-cyclopropyl-2-(2-methoxy-4-nitrophenoxy)ethanol
InChI:
InChI=1S/C12H15NO5/c1-17-12-6-9(13(15)16)4-5-11(12)18-7-10(14)8-2-3-8/h4-6,8,10,14H,2-3,7H2,1H3
InChI Key:
DPTTWIJAEHFMBP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCC(C1CC1)O)[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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