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1099-02-1 | 2,2',2'',2'''-(1,4-Phenylenebis(azanetriyl))tetraacetic acid
CAS No: 1099-02-1 Catalog No: AG003SGD MDL No:
Product Description
Catalog Number:
AG003SGD
Chemical Name:
2,2',2'',2'''-(1,4-Phenylenebis(azanetriyl))tetraacetic acid
CAS Number:
1099-02-1
Molecular Formula:
C14H16N2O8
Molecular Weight:
340.2854
IUPAC Name:
2-[4-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid
InChI:
InChI=1S/C14H16N2O8/c17-11(18)5-15(6-12(19)20)9-1-2-10(4-3-9)16(7-13(21)22)8-14(23)24/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChI Key:
IDQJPXPEIIEMQI-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1ccc(cc1)N(CC(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.288g/mol
Monoisotopic Mass:
340.091g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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