Home Other Building Blocks 1,4,4-TRIMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID

1,4,4-TRIMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID

CAS No.:
1468421-46-6
Catalog Number:
AG01BZMH
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
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Product Description
Catalog Number:
AG01BZMH
Chemical Name:
1,4,4-TRIMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
1468421-46-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD21197421
IUPAC Name:
1,4,4-trimethylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H18O2/c1-9(2)4-6-10(3,7-5-9)8(11)12/h4-7H2,1-3H3,(H,11,12)
InChI Key:
XGGZKBKOKROZMK-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCC(CC1)(C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties