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26536-93-6 | 2-Butenoic acid, 4-bromo-3-methoxy-, methyl ester
CAS No: 26536-93-6 Catalog No: AG002TLP MDL No:
Product Description
Catalog Number:
AG002TLP
Chemical Name:
2-Butenoic acid, 4-bromo-3-methoxy-, methyl ester
CAS Number:
26536-93-6
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
IUPAC Name:
methyl 4-bromo-3-methoxybut-2-enoate
InChI:
InChI=1S/C6H9BrO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3
InChI Key:
NUAZSFMVPZQRSY-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(OC)CBr
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.974g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.039g/mol
Monoisotopic Mass:
207.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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