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675855-32-0 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[(3E)-2-phenyl-3-decenyl]-
CAS No: 675855-32-0 Catalog No: AG006E2G MDL No:
Product Description
Catalog Number:
AG006E2G
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[(3E)-2-phenyl-3-decenyl]-
CAS Number:
675855-32-0
Molecular Formula:
C21H31NO
Molecular Weight:
313.4769
IUPAC Name:
4,4-dimethyl-2-(2-phenyldec-3-enyl)-5H-1,3-oxazole
InChI:
InChI=1S/C21H31NO/c1-4-5-6-7-8-10-15-19(18-13-11-9-12-14-18)16-20-22-21(2,3)17-23-20/h9-15,19H,4-8,16-17H2,1-3H3
InChI Key:
WCOFPAUXZIJQGA-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/C(c1ccccc1)CC1=NC(CO1)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.241g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.485g/mol
Monoisotopic Mass:
313.241g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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