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126628-75-9 | 2-Propenoic acid, 3-cyclohexyl-2-iodo-, methyl ester, (2E)-
CAS No: 126628-75-9 Catalog No: AG000T16 MDL No:
Product Description
Catalog Number:
AG000T16
Chemical Name:
2-Propenoic acid, 3-cyclohexyl-2-iodo-, methyl ester, (2E)-
CAS Number:
126628-75-9
Molecular Formula:
C10H15IO2
Molecular Weight:
294.1294
IUPAC Name:
methyl 3-cyclohexyl-2-iodoprop-2-enoate
InChI:
InChI=1S/C10H15IO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChI Key:
QNJBTKSILCMUNP-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C\C1CCCCC1)/I
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.132g/mol
Monoisotopic Mass:
294.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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