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Home > Other Heterocycles > 404575-28-6
404575-28-6 | 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-, (4S)-
CAS No: 404575-28-6 Catalog No: AG0072TB MDL No:
Product Description
Catalog Number:
AG0072TB
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-, (4S)-
CAS Number:
404575-28-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
(4S)-1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3/t7-,8?,9?,10?/m0/s1
InChI Key:
RBHIUNHSNSQJNG-KJTVYLTBSA-N
SMILES:
CC1(OC1)[C@H]1CCC2(C(C1)O2)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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