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149230-80-8 | 2-Butenedioic acid, 2-(chloromethyl)-
CAS No: 149230-80-8 Catalog No: AG001LH5 MDL No:
Product Description
Catalog Number:
AG001LH5
Chemical Name:
2-Butenedioic acid, 2-(chloromethyl)-
CAS Number:
149230-80-8
Molecular Formula:
C5H5ClO4
Molecular Weight:
164.5438
IUPAC Name:
2-(chloromethyl)but-2-enedioic acid
InChI:
InChI=1S/C5H5ClO4/c6-2-3(5(9)10)1-4(7)8/h1H,2H2,(H,7,8)(H,9,10)
InChI Key:
OKLWGALVQNNLCI-UHFFFAOYSA-N
SMILES:
ClCC(=CC(=O)O)C(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.541g/mol
Monoisotopic Mass:
163.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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