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13744-17-7 | 3H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-one, octahydro-7-methyl-4-(1-methylethyl)-
CAS No: 13744-17-7 Catalog No: AG0013AI MDL No:
Product Description
Catalog Number:
AG0013AI
Chemical Name:
3H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-one, octahydro-7-methyl-4-(1-methylethyl)-
CAS Number:
13744-17-7
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
InChI:
InChI=1S/C14H22O/c1-8(2)10-5-4-9(3)14-7-6-11(15)13(14)12(10)14/h8-10,12-13H,4-7H2,1-3H3
InChI Key:
AECZTIGLSGLNBJ-UHFFFAOYSA-N
SMILES:
CC(C1CCC(C23C1C2C(=O)CC3)C)C
NSC Number:
148896
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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