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158271-95-5 | 2H-Pyrrol-2-one, 1,5-dihydro-1-[(1R)-2-hydroxy-1-phenylethyl]-
CAS No: 158271-95-5 Catalog No: AG001Q3B MDL No:MFCD03791299
Product Description
Catalog Number:
AG001Q3B
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-1-[(1R)-2-hydroxy-1-phenylethyl]-
CAS Number:
158271-95-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD03791299
IUPAC Name:
1-[(1R)-2-hydroxy-1-phenylethyl]-2H-pyrrol-5-one
InChI:
InChI=1S/C12H13NO2/c14-9-11(10-5-2-1-3-6-10)13-8-4-7-12(13)15/h1-7,11,14H,8-9H2/t11-/m0/s1
InChI Key:
IPPHIZDKNVGDJX-NSHDSACASA-N
SMILES:
OC[C@H](N1CC=CC1=O)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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