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Home > Aldehydes > 137935-96-7
137935-96-7 | 1-Cyclohexene-1-carboxaldehyde, 4-[1-(acetyloxy)-1-methylethyl]-, (S)- (9CI)
CAS No: 137935-96-7 Catalog No: AG0017OQ MDL No:
Product Description
Catalog Number:
AG0017OQ
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 4-[1-(acetyloxy)-1-methylethyl]-, (S)- (9CI)
CAS Number:
137935-96-7
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
2-(4-formylcyclohex-3-en-1-yl)propan-2-yl acetate
InChI:
InChI=1S/C12H18O3/c1-9(14)15-12(2,3)11-6-4-10(8-13)5-7-11/h4,8,11H,5-7H2,1-3H3
InChI Key:
MVHPKYLRWLJXTO-UHFFFAOYSA-N
SMILES:
O=CC1=CC[C@H](CC1)C(OC(=O)C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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