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75681-60-6 | 4-(pentylamino)benzoic acid
CAS No: 75681-60-6 Catalog No: AG005AIE MDL No:
Product Description
Catalog Number:
AG005AIE
Chemical Name:
4-(pentylamino)benzoic acid
CAS Number:
75681-60-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
4-(pentylamino)benzoic acid
InChI:
InChI=1S/C12H17NO2/c1-2-3-4-9-13-11-7-5-10(6-8-11)12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)
InChI Key:
PEIGTVJQKKVZSK-UHFFFAOYSA-N
SMILES:
CCCCCNc1ccc(cc1)C(=O)O
NSC Number:
138416
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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