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25109-70-0 | Propanoic acid, 2-bromo-2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
CAS No: 25109-70-0 Catalog No: AG002QHT MDL No:
Product Description
Catalog Number:
AG002QHT
Chemical Name:
Propanoic acid, 2-bromo-2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
CAS Number:
25109-70-0
Molecular Formula:
C9H17BrO3
Molecular Weight:
253.1335
IUPAC Name:
(3-hydroxy-2,2-dimethylpropyl) 2-bromo-2-methylpropanoate
InChI:
InChI=1S/C9H17BrO3/c1-8(2,5-11)6-13-7(12)9(3,4)10/h11H,5-6H2,1-4H3
InChI Key:
RWDSUHMFUVJFIY-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)C(Br)(C)C)(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.136g/mol
Monoisotopic Mass:
252.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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