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85664-65-9 | Propanoic acid, 2,2-dimethyl-, 1-formylcyclohexyl ester
CAS No: 85664-65-9 Catalog No: AG004Q6G MDL No:
Product Description
Catalog Number:
AG004Q6G
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 1-formylcyclohexyl ester
CAS Number:
85664-65-9
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
(1-formylcyclohexyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C12H20O3/c1-11(2,3)10(14)15-12(9-13)7-5-4-6-8-12/h9H,4-8H2,1-3H3
InChI Key:
PCMITKHUQLSZQM-UHFFFAOYSA-N
SMILES:
O=CC1(CCCCC1)OC(=O)C(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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