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86110-13-6 | TRICYCLO[2.2.1.02,6]HEPTANE, 1-ETHYL-3-PROPOXY-
CAS No: 86110-13-6 Catalog No: AG004L2T MDL No:
Product Description
Catalog Number:
AG004L2T
Chemical Name:
TRICYCLO[2.2.1.02,6]HEPTANE, 1-ETHYL-3-PROPOXY-
CAS Number:
86110-13-6
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
1-ethyl-3-propoxytricyclo[2.2.1.02,6]heptane
InChI:
InChI=1S/C12H20O/c1-3-5-13-11-8-6-9-10(11)12(9,4-2)7-8/h8-11H,3-7H2,1-2H3
InChI Key:
RRDDOXQOHQCHIN-UHFFFAOYSA-N
SMILES:
CCCOC1C2CC3C1C3(C2)CC
Properties
Complexity:
225
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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