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1504-43-4 | Benzoic acid, 2-[bis(2-hydroxyethyl)amino]-
CAS No: 1504-43-4 Catalog No: AG001MKY MDL No:
Product Description
Catalog Number:
AG001MKY
Chemical Name:
Benzoic acid, 2-[bis(2-hydroxyethyl)amino]-
CAS Number:
1504-43-4
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]benzoic acid
InChI:
InChI=1S/C11H15NO4/c13-7-5-12(6-8-14)10-4-2-1-3-9(10)11(15)16/h1-4,13-14H,5-8H2,(H,15,16)
InChI Key:
WVRVDRGCRKEDLW-UHFFFAOYSA-N
SMILES:
OCCN(c1ccccc1C(=O)O)CCO
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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