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Home > Nitro Compounds > 39053-47-9
39053-47-9 | 2,4-DIMETHYL-3-NITROBENZOIC ACID
CAS No: 39053-47-9 Catalog No: AG00I7PU MDL No:MFCD08693503
Product Description
Catalog Number:
AG00I7PU
Chemical Name:
2,4-DIMETHYL-3-NITROBENZOIC ACID
CAS Number:
39053-47-9
MDL Number:
MFCD08693503
IUPAC Name:
2,4-dimethyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI Key:
KBUZCIJRGFXZMN-UHFFFAOYSA-N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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