Home Carboxys 1,3,3-Trimethyl-5-oxocyclohexanecarboxylic acid

1,3,3-Trimethyl-5-oxocyclohexanecarboxylic acid

CAS No.:
91057-32-8
Catalog Number:
AG00390O
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
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Product Description
Catalog Number:
AG00390O
Chemical Name:
1,3,3-Trimethyl-5-oxocyclohexanecarboxylic acid
CAS Number:
91057-32-8
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD13195608
IUPAC Name:
1,3,3-trimethyl-5-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H16O3/c1-9(2)4-7(11)5-10(3,6-9)8(12)13/h4-6H2,1-3H3,(H,12,13)
InChI Key:
SGFBPPHVKLFHLR-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(C1)(C)C(=O)O
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties