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236418-12-5 | Cyclopropanecarboxylic acid, 1-[4-(methylamino)-3-nitrophenyl]-
CAS No: 236418-12-5 Catalog No: AG002O0B MDL No:
Product Description
Catalog Number:
AG002O0B
Chemical Name:
Cyclopropanecarboxylic acid, 1-[4-(methylamino)-3-nitrophenyl]-
CAS Number:
236418-12-5
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
1-[4-(methylamino)-3-nitrophenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H12N2O4/c1-12-8-3-2-7(6-9(8)13(16)17)11(4-5-11)10(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)
InChI Key:
JFZHBJCUBZVHJK-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])C1(CC1)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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