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Home > Nitro Compounds > 20716-26-1
20716-26-1 | Benzenepropanol, 2-nitro-
CAS No: 20716-26-1 Catalog No: AG002IVV MDL No:MFCD09028697
Product Description
Catalog Number:
AG002IVV
Chemical Name:
Benzenepropanol, 2-nitro-
CAS Number:
20716-26-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD09028697
IUPAC Name:
3-(2-nitrophenyl)propan-1-ol
InChI:
InChI=1S/C9H11NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6,11H,3,5,7H2
InChI Key:
LJHJJGAQQGSPRL-UHFFFAOYSA-N
SMILES:
OCCCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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