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80901-69-5 | TRICYCLO[2.2.1.02,6]HEPTANE, 1-ETHYL-3-(1-METHYLETHOXY)-
CAS No: 80901-69-5 Catalog No: AG0050S7 MDL No:
Product Description
Catalog Number:
AG0050S7
Chemical Name:
TRICYCLO[2.2.1.02,6]HEPTANE, 1-ETHYL-3-(1-METHYLETHOXY)-
CAS Number:
80901-69-5
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
1-ethyl-3-propan-2-yloxytricyclo[2.2.1.02,6]heptane
InChI:
InChI=1S/C12H20O/c1-4-12-6-8-5-9(12)10(12)11(8)13-7(2)3/h7-11H,4-6H2,1-3H3
InChI Key:
BDGOOZACDNYWTE-UHFFFAOYSA-N
SMILES:
CCC12CC3C(C1C2C3)OC(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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