Home Other Building Blocks 3-cyclohexyl-2-oxopropanoic acid

3-cyclohexyl-2-oxopropanoic acid

CAS No.:
5962-91-4
Catalog Number:
AG01B1IR
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG01B1IR
Chemical Name:
3-cyclohexyl-2-oxopropanoic acid
CAS Number:
5962-91-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD16706684
IUPAC Name:
3-cyclohexyl-2-oxopropanoic acid
InChI:
InChI=1S/C9H14O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)
InChI Key:
ZKQKNYMCJALGFK-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)CC1CCCCC1
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties