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3030-59-9 | 2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-4-(2-oxiranylmethoxy)-
CAS No: 3030-59-9 Catalog No: AG002ZK6 MDL No:
Product Description
Catalog Number:
AG002ZK6
Chemical Name:
2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-4-(2-oxiranylmethoxy)-
CAS Number:
3030-59-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
9-(oxiran-2-ylmethoxy)-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
InChI:
InChI=1S/C13H18O3/c1-6-2-10(15-5-7-4-14-7)8(1)9-3-11-13(16-11)12(6)9/h6-13H,1-5H2
InChI Key:
HGXWGDPXIFBZIA-UHFFFAOYSA-N
SMILES:
C(C1CO1)OC1CC2CC1C1C2C2C(C1)O2
EC Number:
221-202-7
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.3A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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