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1161602-22-7 | 1,2-Pyrrolidinedicarboxylic acid, 1-phenyl ester
CAS No: 1161602-22-7 Catalog No: AG000BRB MDL No:MFCD01045469
Product Description
Catalog Number:
AG000BRB
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 1-phenyl ester
CAS Number:
1161602-22-7
Molecular Formula:
C12H12NO4-
Molecular Weight:
234.2280
MDL Number:
MFCD01045469
IUPAC Name:
1-phenoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-11(15)10-7-4-8-13(10)12(16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)
InChI Key:
OUPMLYISWFZSNV-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCCN1C(=O)Oc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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