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102389-90-2 | 3,4-Pyrrolidinedicarboxylic acid, 1-methyl-, 3,4-dimethyl ester, (3R,4S)-rel-
CAS No: 102389-90-2 Catalog No: AG0007C3 MDL No:MFCD11845731
Product Description
Catalog Number:
AG0007C3
Chemical Name:
3,4-Pyrrolidinedicarboxylic acid, 1-methyl-, 3,4-dimethyl ester, (3R,4S)-rel-
CAS Number:
102389-90-2
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD11845731
IUPAC Name:
dimethyl (3S,4R)-1-methylpyrrolidine-3,4-dicarboxylate
InChI:
InChI=1S/C9H15NO4/c1-10-4-6(8(11)13-2)7(5-10)9(12)14-3/h6-7H,4-5H2,1-3H3/t6-,7+
InChI Key:
PFWNGDGNDOSZPD-KNVOCYPGSA-N
SMILES:
COC(=O)[C@@H]1CN(C[C@@H]1C(=O)OC)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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