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16526-25-3 | Cyclopropanol, 2-phenyl-, 1-acetate, (1R,2R)-rel-
CAS No: 16526-25-3 Catalog No: AG001W1Z MDL No:
Product Description
Catalog Number:
AG001W1Z
Chemical Name:
Cyclopropanol, 2-phenyl-, 1-acetate, (1R,2R)-rel-
CAS Number:
16526-25-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
acetic acid;(1R,2R)-2-phenylcyclopropan-1-ol
InChI:
InChI=1S/C9H10O.C2H4O2/c10-9-6-8(9)7-4-2-1-3-5-7;1-2(3)4/h1-5,8-10H,6H2;1H3,(H,3,4)/t8-,9-;/m1./s1
InChI Key:
WGOMVEPESVMKIP-VTLYIQCISA-N
SMILES:
CC(=O)O[C@@H]1C[C@@H]1c1ccccc1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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