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126-38-5 | Propane, 1-bromo-2,2-dimethoxy-
CAS No: 126-38-5 Catalog No: AG000QNY MDL No:MFCD00000208
Product Description
Catalog Number:
AG000QNY
Chemical Name:
Propane, 1-bromo-2,2-dimethoxy-
CAS Number:
126-38-5
Molecular Formula:
C5H11BrO2
Molecular Weight:
183.0436
MDL Number:
MFCD00000208
IUPAC Name:
1-bromo-2,2-dimethoxypropane
InChI:
InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChI Key:
SGTITUFGCGGICE-UHFFFAOYSA-N
SMILES:
BrCC(OC)(OC)C
EC Number:
204-784-7
Properties
Complexity:
61.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.994g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.045g/mol
Monoisotopic Mass:
181.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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