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198959-37-4 | 3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride (1:1)
CAS No: 198959-37-4 Catalog No: AG002BU9 MDL No:MFCD08436169
Product Description
Catalog Number:
AG002BU9
Chemical Name:
3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride (1:1)
CAS Number:
198959-37-4
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD08436169
IUPAC Name:
methyl pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H
InChI Key:
VVBSXSVVMNGQIN-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC1.Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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