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5434-20-8 | 3-Aminophthalic acid
CAS No: 5434-20-8 Catalog No: AG003AAN MDL No:MFCD00075053
Product Description
Catalog Number:
AG003AAN
Chemical Name:
3-Aminophthalic acid
CAS Number:
5434-20-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00075053
IUPAC Name:
3-aminophthalic acid
InChI:
InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key:
WGLQHUKCXBXUDV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)cccc1C(=O)O
EC Number:
226-595-9
UNII:
7XV0V19ZDG
NSC Number:
15741
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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