Home Carboxys methyl 3,5-dihydroxycyclohexane-1-carboxylate

methyl 3,5-dihydroxycyclohexane-1-carboxylate

CAS No.:
1443770-02-2
Catalog Number:
AG01EK3G
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EK3G
Chemical Name:
methyl 3,5-dihydroxycyclohexane-1-carboxylate
CAS Number:
1443770-02-2
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD06410803
IUPAC Name:
methyl 3,5-dihydroxycyclohexane-1-carboxylate
InChI:
InChI=1S/C8H14O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h5-7,9-10H,2-4H2,1H3
InChI Key:
JKJAVWYVQRYVFS-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(O)CC(C1)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties