Home Nitros 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid

2-ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid

CAS No.:
1461705-59-8
Catalog Number:
AG01A6DD
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
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Product Description
Catalog Number:
AG01A6DD
Chemical Name:
2-ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid
CAS Number:
1461705-59-8
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
MDL Number:
MFCD25970306
IUPAC Name:
2-ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid
InChI:
InChI=1S/C12H13NO6/c1-2-12(10(14)15,11(16)17)7-8-3-5-9(6-4-8)13(18)19/h3-6H,2,7H2,1H3,(H,14,15)(H,16,17)
InChI Key:
UCCITSTWEGGIML-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(C(=O)O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.074g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.237g/mol
Monoisotopic Mass:
267.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties