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192384-52-4 | Pyrano[3,2-b]oxocin-2(3H)-one, 4,4a,6,7,10,10a-hexahydro-, (4aR,10aR)-rel-
CAS No: 192384-52-4 Catalog No: AG002FWZ MDL No:
Product Description
Catalog Number:
AG002FWZ
Chemical Name:
Pyrano[3,2-b]oxocin-2(3H)-one, 4,4a,6,7,10,10a-hexahydro-, (4aR,10aR)-rel-
CAS Number:
192384-52-4
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
(4aR,10aR)-4,4a,6,7,10,10a-hexahydro-3H-pyrano[3,2-b]oxocin-2-one
InChI:
InChI=1S/C10H14O3/c11-10-6-5-8-9(13-10)4-2-1-3-7-12-8/h1-2,8-9H,3-7H2/t8-,9-/m1/s1
InChI Key:
PSBBINDZJLJDQK-RKDXNWHRSA-N
SMILES:
O=C1CC[C@@H]2[C@H](O1)CC=CCCO2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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