3,4-DIMETHYLPENTANOICACID
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3,4-DIMETHYLPENTANOICACID
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CAS No:
3302-06-5
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Formula:
C7H14O2
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Chemical Name:
3,4-DIMETHYLPENTANOICACID
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Synonyms:
3,4-dimethylpentanoic acid;3,4-dimethyl-pentanoic acid;3,4-dimethyl valeric acid;Pentanoic acid,3,4-dimethyl-;NSC16244;Pentanoic acid,4-dimethyl-;SCHEMBL276163;CTK4G9741;DTXSID80280282;LMFA01020145
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CAS No:
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3,4-DIMETHYLPENTANOICACID Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:130.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:97.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes