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15111-56-5 | 3-Cyclohexene-1-carboxylic acid, ethyl ester
CAS No: 15111-56-5 Catalog No: AG001N49 MDL No:MFCD00037158
Product Description
Catalog Number:
AG001N49
Chemical Name:
3-Cyclohexene-1-carboxylic acid, ethyl ester
CAS Number:
15111-56-5
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00037158
IUPAC Name:
ethyl cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-4,8H,2,5-7H2,1H3
InChI Key:
BYNLHLLOIZDKIC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC=CC1
EC Number:
239-161-9
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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