Home Other Building Blocks ACETIC ACID, 2-(4-METHYLCYCLOHEXYLIDENE)-, ETHYL ESTER

ACETIC ACID, 2-(4-METHYLCYCLOHEXYLIDENE)-, ETHYL ESTER

CAS No.:
42778-89-2
Catalog Number:
AG01DWFH
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
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Product Description
Catalog Number:
AG01DWFH
Chemical Name:
ACETIC ACID, 2-(4-METHYLCYCLOHEXYLIDENE)-, ETHYL ESTER
CAS Number:
42778-89-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD27950703
IUPAC Name:
ethyl 2-(4-methylcyclohexylidene)acetate
InChI:
InChI=1S/C11H18O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h8-9H,3-7H2,1-2H3
InChI Key:
URCULVSYHQBTAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/1\CCC(CC1)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties