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75511-41-0 | Propanedioic acid, (bromomethyl)methyl-, diethyl ester
CAS No: 75511-41-0 Catalog No: AG005K61 MDL No:
Product Description
Catalog Number:
AG005K61
Chemical Name:
Propanedioic acid, (bromomethyl)methyl-, diethyl ester
CAS Number:
75511-41-0
Molecular Formula:
C9H15BrO4
Molecular Weight:
267.1170
IUPAC Name:
diethyl 2-(bromomethyl)-2-methylpropanedioate
InChI:
InChI=1S/C9H15BrO4/c1-4-13-7(11)9(3,6-10)8(12)14-5-2/h4-6H2,1-3H3
InChI Key:
CJPGEZMFLBABIK-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)OCC)(C(=O)OCC)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.119g/mol
Monoisotopic Mass:
266.015g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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