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671809-01-1 | Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-3,7a-dimethyl-, (3R,7aR)- (9CI)
CAS No: 671809-01-1 Catalog No: AG00G1J8 MDL No:
Product Description
Catalog Number:
AG00G1J8
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-3,7a-dimethyl-, (3R,7aR)- (9CI)
CAS Number:
671809-01-1
IUPAC Name:
(3R,7aR)-3,7a-dimethyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C8H11NO2/c1-6-5-11-8(2)4-3-7(10)9(6)8/h3-4,6H,5H2,1-2H3/t6-,8-/m1/s1
InChI Key:
KCNFWWNHNHOFJL-HTRCEHHLSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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