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Home > Pyridines > 865075-90-7
865075-90-7 | Phthalic acid mono-(3-pyridin-4-yl-propyl) ester
CAS No: 865075-90-7 Catalog No: AG01F9NJ MDL No:MFCD06637460
Product Description
Catalog Number:
AG01F9NJ
Chemical Name:
Phthalic acid mono-(3-pyridin-4-yl-propyl) ester
CAS Number:
865075-90-7
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
MDL Number:
MFCD06637460
IUPAC Name:
2-(3-pyridin-4-ylpropoxycarbonyl)benzoic acid
InChI:
InChI=1S/C16H15NO4/c18-15(19)13-5-1-2-6-14(13)16(20)21-11-3-4-12-7-9-17-10-8-12/h1-2,5-10H,3-4,11H2,(H,18,19)
InChI Key:
OCEBITIWQABSTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)OCCCc1ccncc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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