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404010-74-8 | 2-Amino-4-morpholinobenzoic acid
CAS No: 404010-74-8 Catalog No: AG003GFO MDL No:MFCD11656803
Product Description
Catalog Number:
AG003GFO
Chemical Name:
2-Amino-4-morpholinobenzoic acid
CAS Number:
404010-74-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD11656803
IUPAC Name:
2-amino-4-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C11H14N2O3/c12-10-7-8(1-2-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChI Key:
VTRWQMUAQBUSQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1N)N1CCOCC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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