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127171-87-3 | Methanaminium, N,N,N-trimethyl-, 1,2-benzenedicarboxylate (1:?)
CAS No: 127171-87-3 Catalog No: AG000WPX MDL No:
Product Description
Catalog Number:
AG000WPX
Chemical Name:
Methanaminium, N,N,N-trimethyl-, 1,2-benzenedicarboxylate (1:?)
CAS Number:
127171-87-3
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
phthalate;tetramethylazanium
InChI:
InChI=1S/C8H6O4.2C4H12N/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-5(2,3)4/h1-4H,(H,9,10)(H,11,12);2*1-4H3/q;2*+1/p-2
InChI Key:
VRUJCFSQHOLHRM-UHFFFAOYSA-L
SMILES:
C[N+](C)(C)C.OC(=O)c1ccccc1C(=O)[O-]
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.41g/mol
Monoisotopic Mass:
312.205g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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