Home Carboxys 1-methylcyclohexane-1,3-dicarboxylic acid

1-methylcyclohexane-1,3-dicarboxylic acid

CAS No.:
1822602-84-5
Catalog Number:
AG01C2T5
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
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Product Description
Catalog Number:
AG01C2T5
Chemical Name:
1-methylcyclohexane-1,3-dicarboxylic acid
CAS Number:
1822602-84-5
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD24516820
IUPAC Name:
1-methylcyclohexane-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H14O4/c1-9(8(12)13)4-2-3-6(5-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
VGMTUHUUJVRBPS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC(C1)(C)C(=O)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties