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379690-29-6 | Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-[(1E)-2-phenylethenyl]-, (4S)-
CAS No: 379690-29-6 Catalog No: AG0076RV MDL No:
Product Description
Catalog Number:
AG0076RV
Chemical Name:
Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-[(1E)-2-phenylethenyl]-, (4S)-
CAS Number:
379690-29-6
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
(4S)-2-(2-phenylethenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C14H17NO/c1-11(2)13-10-16-14(15-13)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/t13-/m1/s1
InChI Key:
JFJWVLKLJQUFAM-CYBMUJFWSA-N
SMILES:
CC([C@H]1COC(=N1)/C=C/c1ccccc1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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