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151539-49-0 | 2-Propenoic acid, 3-(3-bromo-4-methoxyphenyl)-, (2E)-
CAS No: 151539-49-0 Catalog No: AG001NDY MDL No:MFCD01848832
Product Description
Catalog Number:
AG001NDY
Chemical Name:
2-Propenoic acid, 3-(3-bromo-4-methoxyphenyl)-, (2E)-
CAS Number:
151539-49-0
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD01848832
IUPAC Name:
(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
InChI Key:
VTHCKJFXUYPZAO-HWKANZROSA-N
SMILES:
COc1ccc(cc1Br)/C=C/C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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