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29246-24-0 | 2,5-Cyclohexadiene-1-carboxylic acid, ethyl ester
CAS No: 29246-24-0 Catalog No: AG002XU3 MDL No:
Product Description
Catalog Number:
AG002XU3
Chemical Name:
2,5-Cyclohexadiene-1-carboxylic acid, ethyl ester
CAS Number:
29246-24-0
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
ethyl cyclohexa-2,5-diene-1-carboxylate
InChI:
InChI=1S/C9H12O2/c1-2-11-9(10)8-6-4-3-5-7-8/h4-8H,2-3H2,1H3
InChI Key:
TYMCBYMAHPTOKJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C=CCC=C1
Properties
Complexity:
180
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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