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159143-14-3 | Benzoic acid, 4-(2-amino-2-oxoethoxy)-
CAS No: 159143-14-3 Catalog No: AG001QIG MDL No:MFCD02364313
Product Description
Catalog Number:
AG001QIG
Chemical Name:
Benzoic acid, 4-(2-amino-2-oxoethoxy)-
CAS Number:
159143-14-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD02364313
IUPAC Name:
4-(2-amino-2-oxoethoxy)benzoic acid
InChI:
InChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChI Key:
AWIPPDRFNWTGTR-UHFFFAOYSA-N
SMILES:
NC(=O)COc1ccc(cc1)C(=O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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