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13118-11-1 | Benzeneacetic acid, α-cyclopentyl-α-hydroxy-, 1-methyl-3-pyrrolidinyl ester
CAS No: 13118-11-1 Catalog No: AG000VNO MDL No:
Product Description
Catalog Number:
AG000VNO
Chemical Name:
Benzeneacetic acid, α-cyclopentyl-α-hydroxy-, 1-methyl-3-pyrrolidinyl ester
CAS Number:
13118-11-1
Molecular Formula:
C18H25NO3
Molecular Weight:
303.3960
IUPAC Name:
(1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
InChI:
InChI=1S/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3
InChI Key:
OVGMKPGXRHJNKJ-UHFFFAOYSA-N
SMILES:
CN1CCC(C1)OC(=O)C(c1ccccc1)(C1CCCC1)O
EC Number:
236-047-0
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.402g/mol
Monoisotopic Mass:
303.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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