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671809-00-0 | Pyrrolo[2,1-b]oxazol-5(7aH)-one, 3-ethyl-2,3-dihydro-7a-methyl-, (3S,7aS)-
CAS No: 671809-00-0 Catalog No: AG00G1J7 MDL No:
Product Description
Catalog Number:
AG00G1J7
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(7aH)-one, 3-ethyl-2,3-dihydro-7a-methyl-, (3S,7aS)-
CAS Number:
671809-00-0
IUPAC Name:
(3S,7aS)-3-ethyl-7a-methyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C9H13NO2/c1-3-7-6-12-9(2)5-4-8(11)10(7)9/h4-5,7H,3,6H2,1-2H3/t7-,9-/m0/s1
InChI Key:
NAOASAWKFJLAHY-CBAPKCEASA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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