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114725-00-7 | 3-Pyrrolidinecarboxylic acid, 1,3-dimethyl-, methyl ester
CAS No: 114725-00-7 Catalog No: AG000F4C MDL No:MFCD26127438
Product Description
Catalog Number:
AG000F4C
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1,3-dimethyl-, methyl ester
CAS Number:
114725-00-7
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD26127438
IUPAC Name:
methyl 1,3-dimethylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2/c1-8(7(10)11-3)4-5-9(2)6-8/h4-6H2,1-3H3
InChI Key:
AJHMLHHIBYJZNW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CCN(C1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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