Monobutyl fumarate
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Monobutyl fumarate
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CAS No:
16062-88-7
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Formula:
C8H12O4
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Chemical Name:
Monobutyl fumarate
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Synonyms:
2-Butenedioic acid (2E)-,1-butyl ester;Fumaric acid,monobutyl ester;2-Butenedioic acid (E)-,monobutyl ester;Fumaric acid,butyl ester;2-Butenedioic acid (2E)-,monobutyl ester;n-Butyl fumarate;Monobutyl fumarate;Butyl hydrogen fumarate
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CAS No:
Monobutyl fumarate Use and Manufacturing
2-Butenedioic acid (2E)-, 1-butyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.|2-Butenedioic acid (2Z)-, butyl ester: INACTIVE
Computed Properties
Molecular Weight:172.18
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:184
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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