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63082-35-9 | 1-Propanol, 3-(3-nitrophenoxy)-
CAS No: 63082-35-9 Catalog No: AG01EWQK MDL No:
Product Description
Catalog Number:
AG01EWQK
Chemical Name:
1-Propanol, 3-(3-nitrophenoxy)-
CAS Number:
63082-35-9
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
3-(3-nitrophenoxy)propan-1-ol
InChI:
InChI=1S/C9H11NO4/c11-5-2-6-14-9-4-1-3-8(7-9)10(12)13/h1,3-4,7,11H,2,5-6H2
InChI Key:
UVYNMBARDDNRRR-UHFFFAOYSA-N
SMILES:
OCCCOc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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