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1220027-60-0 | 3-Pyrrolidineacetic acid, 1-ethyl-
CAS No: 1220027-60-0 Catalog No: AG0016KB MDL No:MFCD13563017
Product Description
Catalog Number:
AG0016KB
Chemical Name:
3-Pyrrolidineacetic acid, 1-ethyl-
CAS Number:
1220027-60-0
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD13563017
IUPAC Name:
2-(1-ethylpyrrolidin-3-yl)acetic acid
InChI:
InChI=1S/C8H15NO2/c1-2-9-4-3-7(6-9)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
JKIDVPKFNXLIIO-UHFFFAOYSA-N
SMILES:
CCN1CCC(C1)CC(=O)O
Properties
Complexity:
147
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:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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