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13659-03-5 | Carbanilic acid, N-(5-hydroxypentyl)-, ethyl ester, acetate (ester) (8CI)
CAS No: 13659-03-5 Catalog No: AG00124S MDL No:
Product Description
Catalog Number:
AG00124S
Chemical Name:
Carbanilic acid, N-(5-hydroxypentyl)-, ethyl ester, acetate (ester) (8CI)
CAS Number:
13659-03-5
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
5-(N-ethoxycarbonylanilino)pentyl acetate
InChI:
InChI=1S/C16H23NO4/c1-3-20-16(19)17(15-10-6-4-7-11-15)12-8-5-9-13-21-14(2)18/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3
InChI Key:
JMXHUOKPOHIKLM-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(c1ccccc1)CCCCCOC(=O)C
NSC Number:
76448
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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