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Home > Nitro Compounds > 748183-59-7
748183-59-7 | Benzene,1-methoxy-4-[(1S)-1-methyl-2-nitroethyl]-
CAS No: 748183-59-7 Catalog No: AG005SXE MDL No:
Product Description
Catalog Number:
AG005SXE
Chemical Name:
Benzene,1-methoxy-4-[(1S)-1-methyl-2-nitroethyl]-
CAS Number:
748183-59-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
1-methoxy-4-[(2S)-1-nitropropan-2-yl]benzene
InChI:
InChI=1S/C10H13NO3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChI Key:
BEOYRBKGUBNXIT-MRVPVSSYSA-N
SMILES:
COc1ccc(cc1)[C@@H](C[N+](=O)[O-])C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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