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26218-03-1 | Benzoic acid, 3-amino-, butyl ester
CAS No: 26218-03-1 Catalog No: AG002SBC MDL No:MFCD01112170
Product Description
Catalog Number:
AG002SBC
Chemical Name:
Benzoic acid, 3-amino-, butyl ester
CAS Number:
26218-03-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD01112170
IUPAC Name:
butyl 3-aminobenzoate
InChI:
InChI=1S/C11H15NO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7,12H2,1H3
InChI Key:
FOFJXIVZCGTINY-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1cccc(c1)N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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