2-methylidene-4-oxo-4-prop-2-enoxybutanoic acid
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2-methylidene-4-oxo-4-prop-2-enoxybutanoic acid
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CAS No:
5393-28-2
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Formula:
C8H10O4
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Chemical Name:
2-methylidene-4-oxo-4-prop-2-enoxybutanoic acid
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Synonyms:
5393-28-2;2-methylidene-4-oxo-4-prop-2-enoxybutanoic acid;Itaconic acid, .beta.-monoallyl ester;2-methylidene-4-oxo-4-prop-2-enoxy-butanoic acid;Succinic acid, 4-allyl ester;SCHEMBL2367872;DTXSID80277894;NSC4680;NSC-4680;ZINC1680030;DS-000942
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CAS No:
2-methylidene-4-oxo-4-prop-2-enoxybutanoic acid Basic Attributes
170.16 g/mol
170.05790880 g/mol
4680
DTXSID80277894
Computed Properties
Molecular Weight:170.16
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:170.05790880
Monoisotopic Mass:170.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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