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30798-32-4 | 2-Propanol, 1-amino-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
CAS No: 30798-32-4 Catalog No: AG0031BB MDL No:
Product Description
Catalog Number:
AG0031BB
Chemical Name:
2-Propanol, 1-amino-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
CAS Number:
30798-32-4
Molecular Formula:
C9H17NO8
Molecular Weight:
267.2332
IUPAC Name:
1-aminopropan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C6H8O7.C3H9NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(5)2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3,5H,2,4H2,1H3
InChI Key:
KFAOXEXTCSIFGD-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(=O)O)(CC(=O)O)O.NCC(O)C
EC Number:
250-342-1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
267.234g/mol
Monoisotopic Mass:
267.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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