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116644-61-2 | 1-Propanamine, 3-methoxy-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
CAS No: 116644-61-2 Catalog No: AG000CXZ MDL No:
Product Description
Catalog Number:
AG000CXZ
Chemical Name:
1-Propanamine, 3-methoxy-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
CAS Number:
116644-61-2
Molecular Formula:
C10H19NO8
Molecular Weight:
281.2598
IUPAC Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;3-methoxypropan-1-amine
InChI:
InChI=1S/C6H8O7.C4H11NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6-4-2-3-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2-5H2,1H3
InChI Key:
IFHKUEXFOCKGOK-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.COCCCN
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
281.261g/mol
Monoisotopic Mass:
281.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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