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90922-74-0

90922-74-0 | Methyl 4,5-dimethyl-2-nitrobenzoate

CAS No: 90922-74-0 Catalog No: AG006GFF MDL No:MFCD11505956

Product Description

Catalog Number:
AG006GFF
Chemical Name:
Methyl 4,5-dimethyl-2-nitrobenzoate
CAS Number:
90922-74-0
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD11505956
IUPAC Name:
methyl 4,5-dimethyl-2-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-6-4-8(10(12)15-3)9(11(13)14)5-7(6)2/h4-5H,1-3H3
InChI Key:
BDRRSVADGVAMQA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(cc1[N+](=O)[O-])C

Properties

Complexity:
261  
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:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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