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114450-94-1 | Cyclopenta[b]pyran, octahydro-3,6-dimethyl-
CAS No: 114450-94-1 Catalog No: AG000EEH MDL No:
Product Description
Catalog Number:
AG000EEH
Chemical Name:
Cyclopenta[b]pyran, octahydro-3,6-dimethyl-
CAS Number:
114450-94-1
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
3,6-dimethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
InChI:
InChI=1S/C10H18O/c1-7-3-9-4-8(2)6-11-10(9)5-7/h7-10H,3-6H2,1-2H3
InChI Key:
HBYOIMBTOHHESS-UHFFFAOYSA-N
SMILES:
CC1COC2C(C1)CC(C2)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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