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318248-52-1 | 2-methyl-3-phenyl-octahydro-1,2-benzoxazol-4-one
CAS No: 318248-52-1 Catalog No: AG00IQ20 MDL No:MFCD00974227
Product Description
Catalog Number:
AG00IQ20
Chemical Name:
2-methyl-3-phenyl-octahydro-1,2-benzoxazol-4-one
CAS Number:
318248-52-1
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD00974227
IUPAC Name:
2-methyl-3-phenyl-3,3a,5,6,7,7a-hexahydro-1,2-benzoxazol-4-one
InChI:
InChI=1S/C14H17NO2/c1-15-14(10-6-3-2-4-7-10)13-11(16)8-5-9-12(13)17-15/h2-4,6-7,12-14H,5,8-9H2,1H3
InChI Key:
FFOMFRWPMNYVMA-UHFFFAOYSA-N
SMILES:
CN1OC2C(C1c1ccccc1)C(=O)CCC2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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