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13220-17-2 | 3-Pyrrolidinol, 1-methyl-, 3-benzoate
CAS No: 13220-17-2 Catalog No: AG0010CY MDL No:MFCD18431453
Product Description
Catalog Number:
AG0010CY
Chemical Name:
3-Pyrrolidinol, 1-methyl-, 3-benzoate
CAS Number:
13220-17-2
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD18431453
IUPAC Name:
(1-methylpyrrolidin-3-yl) benzoate
InChI:
InChI=1S/C12H15NO2/c1-13-8-7-11(9-13)15-12(14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChI Key:
CRGMQKXGMWUBIG-UHFFFAOYSA-N
SMILES:
CN1CCC(C1)OC(=O)c1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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