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132559-62-7 | 2-Butenoic acid, 4-(3-oxocyclohexyl)-, methyl ester, (2E)-
CAS No: 132559-62-7 Catalog No: AG0010U3 MDL No:
Product Description
Catalog Number:
AG0010U3
Chemical Name:
2-Butenoic acid, 4-(3-oxocyclohexyl)-, methyl ester, (2E)-
CAS Number:
132559-62-7
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
methyl 4-(3-oxocyclohexyl)but-2-enoate
InChI:
InChI=1S/C11H16O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h3,7,9H,2,4-6,8H2,1H3
InChI Key:
RAWPNHYLDFGNOE-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CC1CCCC(=O)C1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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