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122079-54-3 | 3-Pyrrolidinecarboxylic acid, butyl ester
CAS No: 122079-54-3 Catalog No: AG0016PY MDL No:MFCD04115138
Product Description
Catalog Number:
AG0016PY
Chemical Name:
3-Pyrrolidinecarboxylic acid, butyl ester
CAS Number:
122079-54-3
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD04115138
IUPAC Name:
butyl pyrrolidine-3-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-2-3-6-12-9(11)8-4-5-10-7-8/h8,10H,2-7H2,1H3
InChI Key:
GPAHFRRSJVMHAT-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1CNCC1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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