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Home > Aldehydes > 141397-12-8
141397-12-8 | Cyclohexanecarboxaldehyde, 4-[(acetyloxy)methyl]-
CAS No: 141397-12-8 Catalog No: AG001GCD MDL No:
Product Description
Catalog Number:
AG001GCD
Chemical Name:
Cyclohexanecarboxaldehyde, 4-[(acetyloxy)methyl]-
CAS Number:
141397-12-8
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
(4-formylcyclohexyl)methyl acetate
InChI:
InChI=1S/C10H16O3/c1-8(12)13-7-10-4-2-9(6-11)3-5-10/h6,9-10H,2-5,7H2,1H3
InChI Key:
NIZWXLCKPIEGOH-UHFFFAOYSA-N
SMILES:
O=CC1CCC(CC1)COC(=O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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