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116414-65-4 | Pent-1-enitol, 2,5:3,4-dianhydro-1-deoxy-3-C-methyl-
CAS No: 116414-65-4 Catalog No: AG000CFX MDL No:
Product Description
Catalog Number:
AG000CFX
Chemical Name:
Pent-1-enitol, 2,5:3,4-dianhydro-1-deoxy-3-C-methyl-
CAS Number:
116414-65-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
1-methyl-2-methylidene-3,6-dioxabicyclo[3.1.0]hexane
InChI:
InChI=1S/C6H8O2/c1-4-6(2)5(8-6)3-7-4/h5H,1,3H2,2H3
InChI Key:
WZPQNXGCXLXVDI-UHFFFAOYSA-N
SMILES:
C=C1OCC2C1(C)O2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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