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87764-02-1 | 1-Propen-2-ol, 3-bromo-, acetate
CAS No: 87764-02-1 Catalog No: AG004FBA MDL No:
Product Description
Catalog Number:
AG004FBA
Chemical Name:
1-Propen-2-ol, 3-bromo-, acetate
CAS Number:
87764-02-1
Molecular Formula:
C5H9BrO3
Molecular Weight:
197.0272
IUPAC Name:
acetic acid;3-bromoprop-1-en-2-ol
InChI:
InChI=1S/C3H5BrO.C2H4O2/c1-3(5)2-4;1-2(3)4/h5H,1-2H2;1H3,(H,3,4)
InChI Key:
GOMUQUQIUZBXBK-UHFFFAOYSA-N
SMILES:
OC(=C)CBr.CC(=O)O
Properties
Complexity:
73.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.028g/mol
Monoisotopic Mass:
195.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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