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124084-55-5 | 2-Pentenoic acid, 2-(bromomethyl)-, 2-methylpropyl ester, (2Z)-
CAS No: 124084-55-5 Catalog No: AG000LK2 MDL No:
Product Description
Catalog Number:
AG000LK2
Chemical Name:
2-Pentenoic acid, 2-(bromomethyl)-, 2-methylpropyl ester, (2Z)-
CAS Number:
124084-55-5
Molecular Formula:
C10H17BrO2
Molecular Weight:
249.1448
IUPAC Name:
2-methylpropyl 2-(bromomethyl)pent-2-enoate
InChI:
InChI=1S/C10H17BrO2/c1-4-5-9(6-11)10(12)13-7-8(2)3/h5,8H,4,6-7H2,1-3H3
InChI Key:
BKBFULFMLBZSSA-UHFFFAOYSA-N
SMILES:
CC/C=C(/C(=O)OCC(C)C)\CBr
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.148g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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