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113742-94-2 | 1,2-Ethanedione, 1-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-2-phenyl-
CAS No: 113742-94-2 Catalog No: AG0009JI MDL No:
Product Description
Catalog Number:
AG0009JI
Chemical Name:
1,2-Ethanedione, 1-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-2-phenyl-
CAS Number:
113742-94-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethane-1,2-dione
InChI:
InChI=1S/C14H17NO3/c1-18-10-12-8-5-9-15(12)14(17)13(16)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChI Key:
OBOMMYWNZMCTBI-LBPRGKRZSA-N
SMILES:
COC[C@@H]1CCCN1C(=O)C(=O)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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