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84393-05-5 | Cyclohexanecarboxylic acid, 1-formyl-, methyl ester
CAS No: 84393-05-5 Catalog No: AG0055RH MDL No:MFCD15526937
Product Description
Catalog Number:
AG0055RH
Chemical Name:
Cyclohexanecarboxylic acid, 1-formyl-, methyl ester
CAS Number:
84393-05-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD15526937
IUPAC Name:
methyl 1-formylcyclohexane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-12-8(11)9(7-10)5-3-2-4-6-9/h7H,2-6H2,1H3
InChI Key:
ZKTJOSITANDHAI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C=O)CCCCC1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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