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10094-36-7 | Cyclohexanepropanoic acid, ethyl ester
CAS No: 10094-36-7 Catalog No: AG00039Q MDL No:
Product Description
Catalog Number:
AG00039Q
Chemical Name:
Cyclohexanepropanoic acid, ethyl ester
CAS Number:
10094-36-7
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
ethyl 3-cyclohexylpropanoate
InChI:
InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChI Key:
NRVPMFHPHGBQLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC1CCCCC1
EC Number:
233-222-3
UNII:
TP836Y7R61
NSC Number:
71463
FEMA Number:
2431
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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