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3092-20-4 | 1,1-Cyclopropanedicarboxylic acid, 2-phenyl-, 1,1-diethyl ester
CAS No: 3092-20-4 Catalog No: AG0031O7 MDL No:MFCD00045393
Product Description
Catalog Number:
AG0031O7
Chemical Name:
1,1-Cyclopropanedicarboxylic acid, 2-phenyl-, 1,1-diethyl ester
CAS Number:
3092-20-4
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
MDL Number:
MFCD00045393
IUPAC Name:
diethyl 2-phenylcyclopropane-1,1-dicarboxylate
InChI:
InChI=1S/C15H18O4/c1-3-18-13(16)15(14(17)19-4-2)10-12(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChI Key:
AIBJDWXTNYIAKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1c1ccccc1)C(=O)OCC
NSC Number:
88160
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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