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115119-00-1 | 2-Azetidinone, 3-hydroxy-1-methyl-3-phenyl-, (3S)-
CAS No: 115119-00-1 Catalog No: AG000GBL MDL No:
Product Description
Catalog Number:
AG000GBL
Chemical Name:
2-Azetidinone, 3-hydroxy-1-methyl-3-phenyl-, (3S)-
CAS Number:
115119-00-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
(3S)-3-hydroxy-1-methyl-3-phenylazetidin-2-one
InChI:
InChI=1S/C10H11NO2/c1-11-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3/t10-/m1/s1
InChI Key:
HESLKSAURQCLQK-SNVBAGLBSA-N
SMILES:
CN1C[C@@](C1=O)(O)c1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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