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88663-50-7 | 4-Pentenoic acid, 5-bromo-, (E)-
CAS No: 88663-50-7 Catalog No: AG0048KS MDL No:MFCD20622718
Product Description
Catalog Number:
AG0048KS
Chemical Name:
4-Pentenoic acid, 5-bromo-, (E)-
CAS Number:
88663-50-7
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
MDL Number:
MFCD20622718
IUPAC Name:
5-bromopent-4-enoic acid
InChI:
InChI=1S/C5H7BrO2/c6-4-2-1-3-5(7)8/h2,4H,1,3H2,(H,7,8)
InChI Key:
HRLPFOBWURFZAS-UHFFFAOYSA-N
SMILES:
OC(=O)CC/C=C/Br
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.963g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.013g/mol
Monoisotopic Mass:
177.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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