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116073-19-9 | Cyclopenta[b][1]benzopyran, dodecahydro-9-methyl-
CAS No: 116073-19-9 Catalog No: AG000BK3 MDL No:
Product Description
Catalog Number:
AG000BK3
Chemical Name:
Cyclopenta[b][1]benzopyran, dodecahydro-9-methyl-
CAS Number:
116073-19-9
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
InChI:
InChI=1S/C13H22O/c1-9-10-5-2-3-7-12(10)14-13-8-4-6-11(9)13/h9-13H,2-8H2,1H3
InChI Key:
ICQUKPPBCLQJJW-UHFFFAOYSA-N
SMILES:
CC1C2CCCCC2OC2C1CCC2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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