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107757-06-2 | 3-Methyl-5-nitrobenzaldehyde
CAS No: 107757-06-2 Catalog No: AG0093ZU MDL No:MFCD18399644
Product Description
Catalog Number:
AG0093ZU
Chemical Name:
3-Methyl-5-nitrobenzaldehyde
CAS Number:
107757-06-2
MDL Number:
MFCD18399644
IUPAC Name:
3-methyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5H,1H3
InChI Key:
JXJUTTOJJMSVBB-UHFFFAOYSA-N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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