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13110-37-7 | N-PENTYL-4-AMINOBENZOATE
CAS No: 13110-37-7 Catalog No: AG003TAR MDL No:MFCD00455845
Product Description
Catalog Number:
AG003TAR
Chemical Name:
N-PENTYL-4-AMINOBENZOATE
CAS Number:
13110-37-7
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD00455845
IUPAC Name:
pentyl 4-aminobenzoate
InChI:
InChI=1S/C12H17NO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9,13H2,1H3
InChI Key:
VKYWCHMXHQTCJQ-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1ccc(cc1)N
NSC Number:
69110
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:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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