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125215-25-0 | 2-Propenoic acid, 2-chlorocyclohexyl ester
CAS No: 125215-25-0 Catalog No: AG000NCN MDL No:
Product Description
Catalog Number:
AG000NCN
Chemical Name:
2-Propenoic acid, 2-chlorocyclohexyl ester
CAS Number:
125215-25-0
Molecular Formula:
C9H13ClO2
Molecular Weight:
188.6513
IUPAC Name:
(2-chlorocyclohexyl) prop-2-enoate
InChI:
InChI=1S/C9H13ClO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h2,7-8H,1,3-6H2
InChI Key:
NGDOLKDENPCYIS-UHFFFAOYSA-N
SMILES:
C=CC(=O)OC1CCCCC1Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.651g/mol
Monoisotopic Mass:
188.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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