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13736-75-9 | Benzoic acid, 4-amino-2-(octyloxy)-
CAS No: 13736-75-9 Catalog No: AG00136B MDL No:
Product Description
Catalog Number:
AG00136B
Chemical Name:
Benzoic acid, 4-amino-2-(octyloxy)-
CAS Number:
13736-75-9
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
4-amino-2-octoxybenzoic acid
InChI:
InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-19-14-11-12(16)8-9-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
InChI Key:
SSIMXWSWYKRXPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(N)ccc1C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.353g/mol
Monoisotopic Mass:
265.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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