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82967-65-5 | 2-Pentenoic acid, 4-bromo-3-methoxy-, methyl ester
CAS No: 82967-65-5 Catalog No: AG004YHF MDL No:
Product Description
Catalog Number:
AG004YHF
Chemical Name:
2-Pentenoic acid, 4-bromo-3-methoxy-, methyl ester
CAS Number:
82967-65-5
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
IUPAC Name:
methyl 4-bromo-3-methoxypent-2-enoate
InChI:
InChI=1S/C7H11BrO3/c1-5(8)6(10-2)4-7(9)11-3/h4-5H,1-3H3
InChI Key:
RQAYHTPHSTXAJM-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(C(Br)C)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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