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75866-72-7 | Oxazole,4,5-dihydro-2-methyl-4-(phenylmethyl)-, (4S)-
CAS No: 75866-72-7 Catalog No: AG0059V7 MDL No:MFCD00191778
Product Description
Catalog Number:
AG0059V7
Chemical Name:
Oxazole,4,5-dihydro-2-methyl-4-(phenylmethyl)-, (4S)-
CAS Number:
75866-72-7
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00191778
IUPAC Name:
(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C11H13NO/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChI Key:
XFGDWXDHKJEUEA-NSHDSACASA-N
SMILES:
CC1=N[C@H](CO1)Cc1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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