Home Other Building Blocks 3-Acetamidophthalic Acid

3-Acetamidophthalic Acid

CAS No.:
15371-06-9
Catalog Number:
AG0038XE
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
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Product Description
Catalog Number:
AG0038XE
Chemical Name:
3-Acetamidophthalic Acid
CAS Number:
15371-06-9
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
MDL Number:
MFCD00612509
IUPAC Name:
3-acetamidophthalic acid
InChI:
InChI=1S/C10H9NO5/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
ONSCGVISIRLDJQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1C(=O)O)C(=O)O
EC Number:
239-404-9
UNII:
I1M6HR1N6D
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties