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1158759-28-4 | 1,3-Pyrrolidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) ester
CAS No: 1158759-28-4 Catalog No: AG000H0V MDL No:MFCD12406590
Product Description
Catalog Number:
AG000H0V
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) ester
CAS Number:
1158759-28-4
Molecular Formula:
C11H15N2O4-
Molecular Weight:
239.2478
MDL Number:
MFCD12406590
IUPAC Name:
3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H16N2O4/c1-10(2,3)17-9(16)13-5-4-11(6-12,7-13)8(14)15/h4-5,7H2,1-3H3,(H,14,15)
InChI Key:
HCNPLTDBJWRSOX-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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