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102524-70-9 | 1,2,3-Propanetriol, 4-aminobenzoate (9CI)
CAS No: 102524-70-9 Catalog No: AG0007N9 MDL No:
Product Description
Catalog Number:
AG0007N9
Chemical Name:
1,2,3-Propanetriol, 4-aminobenzoate (9CI)
CAS Number:
102524-70-9
Molecular Formula:
C10H15NO5
Molecular Weight:
229.2298
IUPAC Name:
4-aminobenzoic acid;propane-1,2,3-triol
InChI:
InChI=1S/C7H7NO2.C3H8O3/c8-6-3-1-5(2-4-6)7(9)10;4-1-3(6)2-5/h1-4H,8H2,(H,9,10);3-6H,1-2H2
InChI Key:
WJVIOISGGGQWSD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N.OCC(CO)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
229.232g/mol
Monoisotopic Mass:
229.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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