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133-11-9 | Benzoic acid, 4-amino-2-hydroxy-, phenyl ester
CAS No: 133-11-9 Catalog No: AG0011HH MDL No:MFCD00007788
Product Description
Catalog Number:
AG0011HH
Chemical Name:
Benzoic acid, 4-amino-2-hydroxy-, phenyl ester
CAS Number:
133-11-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00007788
IUPAC Name:
phenyl 4-amino-2-hydroxybenzoate
InChI:
InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
InChI Key:
DNVVZWSVACQWJE-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)O)C(=O)Oc1ccccc1
EC Number:
205-092-8
UNII:
52936SIP7V
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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