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136570-12-2 | Oxazolidine, 2,2-dimethyl-4-(1-methylethyl)-3-(1-oxo-2-propenyl)-, (S)- (9CI)
CAS No: 136570-12-2 Catalog No: AG001237 MDL No:
Product Description
Catalog Number:
AG001237
Chemical Name:
Oxazolidine, 2,2-dimethyl-4-(1-methylethyl)-3-(1-oxo-2-propenyl)-, (S)- (9CI)
CAS Number:
136570-12-2
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]prop-2-en-1-one
InChI:
InChI=1S/C11H19NO2/c1-6-10(13)12-9(8(2)3)7-14-11(12,4)5/h6,8-9H,1,7H2,2-5H3/t9-/m1/s1
InChI Key:
BMSUWDPOSOISDJ-SECBINFHSA-N
SMILES:
C=CC(=O)N1[C@H](COC1(C)C)C(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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