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Home > Nitro Compounds > 70599-87-0
70599-87-0 | 1-nitro-3-propoxy-benzene
CAS No: 70599-87-0 Catalog No: AG005HQN MDL No:
Product Description
Catalog Number:
AG005HQN
Chemical Name:
1-nitro-3-propoxy-benzene
CAS Number:
70599-87-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
1-nitro-3-propoxybenzene
InChI:
InChI=1S/C9H11NO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3
InChI Key:
ATCLUTSGXRLRKU-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1)[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:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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