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13052-92-1 | Benzoic acid, 3-amino-4-hydroxy-, ethyl ester
CAS No: 13052-92-1 Catalog No: AG000UJZ MDL No:MFCD09961411
Product Description
Catalog Number:
AG000UJZ
Chemical Name:
Benzoic acid, 3-amino-4-hydroxy-, ethyl ester
CAS Number:
13052-92-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD09961411
IUPAC Name:
ethyl 3-amino-4-hydroxybenzoate
InChI:
InChI=1S/C9H11NO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2,10H2,1H3
InChI Key:
WQSOFWIIBNJWSS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)N)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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