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131380-91-1 | Phenol, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS No: 131380-91-1 Catalog No: AG000W2E MDL No:
Product Description
Catalog Number:
AG000W2E
Chemical Name:
Phenol, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS Number:
131380-91-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol
InChI:
InChI=1S/C12H15NO2/c1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChI Key:
NHCHOCDSGYNNIS-SNVBAGLBSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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