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141193-21-7 | 1-Cyclohexene-1-carboxaldehyde, 3-(acetyloxy)-
CAS No: 141193-21-7 Catalog No: AG007ZKM MDL No:
Product Description
Catalog Number:
AG007ZKM
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 3-(acetyloxy)-
CAS Number:
141193-21-7
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
(3-formylcyclohex-2-en-1-yl) acetate
InChI:
InChI=1S/C9H12O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h5-6,9H,2-4H2,1H3
InChI Key:
JJOWQNNNAVZICH-UHFFFAOYSA-N
SMILES:
O=CC1=CC(CCC1)OC(=O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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