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7143-00-2 | 3-(1-acetyl-2-oxocyclohex-3-en-1-yl)propanal
CAS No: 7143-00-2 Catalog No: AG005ILE MDL No:
Product Description
Catalog Number:
AG005ILE
Chemical Name:
3-(1-acetyl-2-oxocyclohex-3-en-1-yl)propanal
CAS Number:
7143-00-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
3-(1-acetyl-2-oxocyclohex-3-en-1-yl)propanal
InChI:
InChI=1S/C11H14O3/c1-9(13)11(7-4-8-12)6-3-2-5-10(11)14/h2,5,8H,3-4,6-7H2,1H3
InChI Key:
XWULUPMHLXTPMA-UHFFFAOYSA-N
SMILES:
O=CCCC1(CCC=CC1=O)C(=O)C
NSC Number:
42227
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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