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10264-63-8 | 2-Pentenoic acid, 4-bromo-
CAS No: 10264-63-8 Catalog No: AG00080O MDL No:
Product Description
Catalog Number:
AG00080O
Chemical Name:
2-Pentenoic acid, 4-bromo-
CAS Number:
10264-63-8
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
IUPAC Name:
4-bromopent-2-enoic acid
InChI:
InChI=1S/C5H7BrO2/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H,7,8)
InChI Key:
KDNCGADQPWREDS-UHFFFAOYSA-N
SMILES:
CC(C=CC(=O)O)Br
Properties
Complexity:
109
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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