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168569-36-6 | 2-Propenoic acid, [(hydroxymethyl)cyclohexyl]methyl ester
CAS No: 168569-36-6 Catalog No: AG001Y53 MDL No:
Product Description
Catalog Number:
AG001Y53
Chemical Name:
2-Propenoic acid, [(hydroxymethyl)cyclohexyl]methyl ester
CAS Number:
168569-36-6
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
[1-(hydroxymethyl)cyclohexyl]methyl prop-2-enoate
InChI:
InChI=1S/C11H18O3/c1-2-10(13)14-9-11(8-12)6-4-3-5-7-11/h2,12H,1,3-9H2
InChI Key:
KKVKUNIBLLLFHA-UHFFFAOYSA-N
SMILES:
OCC1(CCCCC1)COC(=O)C=C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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