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64622-45-3 | 2-pyridylmethyl 2-(4-isobutylphenyl)propionate
CAS No: 64622-45-3 Catalog No: AG00E958 MDL No:MFCD00866018
Product Description
Catalog Number:
AG00E958
Chemical Name:
2-pyridylmethyl 2-(4-isobutylphenyl)propionate
CAS Number:
64622-45-3
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
MDL Number:
MFCD00866018
IUPAC Name:
pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
InChI:
InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
InChI Key:
ACEWLPOYLGNNHV-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(C(=O)OCc1ccccn1)C)C
EC Number:
264-979-8
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Inhibitory activity of CX-659S, a novel diaminouracil derivative, against the rebound phenomenon following withdrawal of corticosteroid therapy for chronic contact hypersensitivity responses. | International archives of allergy and immunology 20030601 |
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