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80171-40-0 | Benzene, 1-nitro-3-(propoxymethyl)-
CAS No: 80171-40-0 Catalog No: AG0054KV MDL No:
Product Description
Catalog Number:
AG0054KV
Chemical Name:
Benzene, 1-nitro-3-(propoxymethyl)-
CAS Number:
80171-40-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
1-nitro-3-(propoxymethyl)benzene
InChI:
InChI=1S/C10H13NO3/c1-2-6-14-8-9-4-3-5-10(7-9)11(12)13/h3-5,7H,2,6,8H2,1H3
InChI Key:
JSBSRQZVRQKUFP-UHFFFAOYSA-N
SMILES:
CCCOCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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