Home Carboxys ethyl cyclohexa-1,3-diene-1-carboxylate

ethyl cyclohexa-1,3-diene-1-carboxylate

CAS No.:
3725-40-4
Catalog Number:
AG01E8HB
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
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Product Description
Catalog Number:
AG01E8HB
Chemical Name:
ethyl cyclohexa-1,3-diene-1-carboxylate
CAS Number:
3725-40-4
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00052374
IUPAC Name:
ethyl cyclohexa-1,3-diene-1-carboxylate
InChI:
InChI=1S/C9H12O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-4,6H,2,5,7H2,1H3
InChI Key:
CWXMXSNBCWFLOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CC=CCC1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties