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76988-04-0 | 4-(2-PHENOXYNICOTINAMIDO)BUTYRIC ACID
CAS No: 76988-04-0 Catalog No: AG00579W MDL No:
Product Description
Catalog Number:
AG00579W
Chemical Name:
4-(2-PHENOXYNICOTINAMIDO)BUTYRIC ACID
CAS Number:
76988-04-0
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
4-[(2-phenoxypyridine-3-carbonyl)amino]butanoic acid
InChI:
InChI=1S/C16H16N2O4/c19-14(20)9-5-10-17-15(21)13-8-4-11-18-16(13)22-12-6-2-1-3-7-12/h1-4,6-8,11H,5,9-10H2,(H,17,21)(H,19,20)
InChI Key:
UUEFPAVJPHHQCG-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Oc1ccccc1)NCCCC(=O)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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