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126802-52-6 | Benzeneacetic acid, α,α-dimethyl-2-nitro-
CAS No: 126802-52-6 Catalog No: AG000T99 MDL No:MFCD11036963
Product Description
Catalog Number:
AG000T99
Chemical Name:
Benzeneacetic acid, α,α-dimethyl-2-nitro-
CAS Number:
126802-52-6
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD11036963
IUPAC Name:
2-methyl-2-(2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C10H11NO4/c1-10(2,9(12)13)7-5-3-4-6-8(7)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key:
MBYUEHBQZXQBKX-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1[N+](=O)[O-])(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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