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142160-67-6 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-1-methoxy- (9CI)
CAS No: 142160-67-6 Catalog No: AG001HVR MDL No:
Product Description
Catalog Number:
AG001HVR
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-1-methoxy- (9CI)
CAS Number:
142160-67-6
Molecular Formula:
C7H10O8
Molecular Weight:
222.1495
IUPAC Name:
2-hydroxy-1-methoxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C7H10O8/c1-15-4(5(10)11)7(14,6(12)13)2-3(8)9/h4,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChI Key:
AFAPBWPLZOVKIF-UHFFFAOYSA-N
SMILES:
COC(C(C(=O)O)(CC(=O)O)O)C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
222.149g/mol
Monoisotopic Mass:
222.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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