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202667-44-5 | s-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-2-methyl-
CAS No: 202667-44-5 Catalog No: AG0028CM MDL No:MFCD11850102
Product Description
Catalog Number:
AG0028CM
Chemical Name:
s-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-2-methyl-
CAS Number:
202667-44-5
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
MDL Number:
MFCD11850102
IUPAC Name:
2-methyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one
InChI:
InChI=1S/C13H14O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h6-8H,2-5H2,1H3
InChI Key:
HUGFGAJICGDGBY-UHFFFAOYSA-N
SMILES:
CC1Cc2c(C1=O)cc1c(c2)CCC1
EC Number:
606-481-9
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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