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76720-37-1 | ethyl 4-(3,3-dihydroxypropylamino)benzoate
CAS No: 76720-37-1 Catalog No: AG005IIZ MDL No:
Product Description
Catalog Number:
AG005IIZ
Chemical Name:
ethyl 4-(3,3-dihydroxypropylamino)benzoate
CAS Number:
76720-37-1
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
ethyl 4-(3,3-dihydroxypropylamino)benzoate
InChI:
InChI=1S/C12H17NO4/c1-2-17-12(16)9-3-5-10(6-4-9)13-8-7-11(14)15/h3-6,11,13-15H,2,7-8H2,1H3
InChI Key:
LFUPHQRGNKMSOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NCCC(O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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