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Home > Nitro Compounds > 7244-77-1
7244-77-1 | p-nitrophenylpropylether
CAS No: 7244-77-1 Catalog No: AG00FE1O MDL No:MFCD00043607
Product Description
Catalog Number:
AG00FE1O
Chemical Name:
p-nitrophenylpropylether
CAS Number:
7244-77-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00043607
IUPAC Name:
1-nitro-4-propoxybenzene
InChI:
InChI=1S/C9H11NO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
AWOXUNCNGSHHSP-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)N(=O)=O
EC Number:
230-650-2
Properties
Complexity:
159
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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