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1245807-92-4 | 1,3-Pyrrolidinedicarboxylic acid, 3-(carboxymethyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1245807-92-4 Catalog No: AG000MFI MDL No:MFCD12755752
Product Description
Catalog Number:
AG000MFI
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 3-(carboxymethyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1245807-92-4
Molecular Formula:
C12H18NO6-
Molecular Weight:
272.2744
MDL Number:
MFCD12755752
IUPAC Name:
3-(carboxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H19NO6/c1-11(2,3)19-10(18)13-5-4-12(7-13,9(16)17)6-8(14)15/h4-7H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
PJXKJYRZDKBBEF-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.285g/mol
Monoisotopic Mass:
273.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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