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197964-12-8 | Butanoic acid, 3-pyrrolidinyl ester
CAS No: 197964-12-8 Catalog No: AG002B7E MDL No:
Product Description
Catalog Number:
AG002B7E
Chemical Name:
Butanoic acid, 3-pyrrolidinyl ester
CAS Number:
197964-12-8
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
pyrrolidin-3-yl butanoate
InChI:
InChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3
InChI Key:
AMBFAHQJLWMXNZ-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC1CNCC1
Properties
Complexity:
136
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:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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