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28871-91-2 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-
CAS No: 28871-91-2 Catalog No: AG002WWZ MDL No:
Product Description
Catalog Number:
AG002WWZ
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-
CAS Number:
28871-91-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
(3aR,4S,7R,7aS)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C8H9NO3/c10-7-5-3-1-2-4(12-3)6(5)8(11)9-7/h3-6H,1-2H2,(H,9,10,11)/t3-,4+,5-,6+
InChI Key:
VKWSKNKAHKHDRI-FBXFSONDSA-N
SMILES:
O=C1NC(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2O1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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