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139060-16-5 | Pentanedioic acid, 2-(bromomethylene)-, diethyl ester, (2E)- (9CI)
CAS No: 139060-16-5 Catalog No: AG001A4F MDL No:
Product Description
Catalog Number:
AG001A4F
Chemical Name:
Pentanedioic acid, 2-(bromomethylene)-, diethyl ester, (2E)- (9CI)
CAS Number:
139060-16-5
Molecular Formula:
C10H15BrO4
Molecular Weight:
279.1277
IUPAC Name:
diethyl 2-(bromomethylidene)pentanedioate
InChI:
InChI=1S/C10H15BrO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h7H,3-6H2,1-2H3
InChI Key:
TWQXPJGJUBIRCU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC/C(=C\Br)/C(=O)OCC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.13g/mol
Monoisotopic Mass:
278.015g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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