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869942-82-5 | 3-(2-AMINO-2-OXOETHOXY)BENZOIC ACID
CAS No: 869942-82-5 Catalog No: AG004HD7 MDL No:MFCD04580891
Product Description
Catalog Number:
AG004HD7
Chemical Name:
3-(2-AMINO-2-OXOETHOXY)BENZOIC ACID
CAS Number:
869942-82-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD04580891
IUPAC Name:
3-(2-amino-2-oxoethoxy)benzoic acid
InChI:
InChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChI Key:
IEVCYNDPZXZQBM-UHFFFAOYSA-N
SMILES:
NC(=O)COc1cccc(c1)C(=O)O
Properties
Complexity:
229
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:
0.5
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