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52075-14-6 | (4S,5S)-4-(Methoxymethyl)-2-methyl-5-phenyl-4,5-dihydrooxazole
CAS No: 52075-14-6 Catalog No: AG003BX6 MDL No:MFCD00078100
Product Description
Catalog Number:
AG003BX6
Chemical Name:
(4S,5S)-4-(Methoxymethyl)-2-methyl-5-phenyl-4,5-dihydrooxazole
CAS Number:
52075-14-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00078100
IUPAC Name:
(4S,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C12H15NO2/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m0/s1
InChI Key:
AKFIXTAIQHJWAU-RYUDHWBXSA-N
SMILES:
COC[C@@H]1N=C(O[C@H]1c1ccccc1)C
EC Number:
257-641-6
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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