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Home Carboxys 1,4-Cyclohexadiene-1-carboxylic acid, 4-methyl-, ethyl ester

1,4-Cyclohexadiene-1-carboxylic acid, 4-methyl-, ethyl ester

CAS No.:
118451-60-8
Catalog Number:
AG01DTNN
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$82
- +
250mg
95%
In Stock USA
United States
$158
- +
1g
95%
In Stock USA
United States
$315
- +
Product Description
Catalog Number:
AG01DTNN
Chemical Name:
1,4-Cyclohexadiene-1-carboxylic acid, 4-methyl-, ethyl ester
CAS Number:
118451-60-8
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD31801662
IUPAC Name:
ethyl 4-methylcyclohexa-1,4-diene-1-carboxylate
InChI:
InChI=1S/C10H14O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4,7H,3,5-6H2,1-2H3
InChI Key:
NZSBNDPCHBRWSD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCC(=CC1)C
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties