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120771-07-5 | 2H-Pyrrol-2-one,1-[5-(1,1-dimethylethyl)-3-isoxazolyl]-1,5-dihydro-5-hydroxy-3,4-dimethyl-
CAS No: 120771-07-5 Catalog No: AG00756W MDL No:
Product Description
Catalog Number:
AG00756W
Chemical Name:
2H-Pyrrol-2-one,1-[5-(1,1-dimethylethyl)-3-isoxazolyl]-1,5-dihydro-5-hydroxy-3,4-dimethyl-
CAS Number:
120771-07-5
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
1-(5-tert-butyl-1,2-oxazol-3-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
InChI:
InChI=1S/C13H18N2O3/c1-7-8(2)12(17)15(11(7)16)10-6-9(18-14-10)13(3,4)5/h6,11,16H,1-5H3
InChI Key:
AVURBODECJBIHR-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(N(C1=O)c1noc(c1)C(C)(C)C)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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