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302601-81-6 | Benzoic acid, 4-[[2-(dimethylamino)acetyl]amino]-
CAS No: 302601-81-6 Catalog No: AG002ZDZ MDL No:MFCD00627561
Product Description
Catalog Number:
AG002ZDZ
Chemical Name:
Benzoic acid, 4-[[2-(dimethylamino)acetyl]amino]-
CAS Number:
302601-81-6
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00627561
IUPAC Name:
4-[[2-(dimethylamino)acetyl]amino]benzoic acid;hydrochloride
InChI:
InChI=1S/C11H14N2O3.ClH/c1-13(2)7-10(14)12-9-5-3-8(4-6-9)11(15)16;/h3-6H,7H2,1-2H3,(H,12,14)(H,15,16);1H
InChI Key:
SLUCLVUOHHKHGC-UHFFFAOYSA-N
SMILES:
CN(CC(=O)Nc1ccc(cc1)C(=O)O)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.702g/mol
Monoisotopic Mass:
258.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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