(3-acetyloxy-2,2,4-trimethylpentyl) acetate
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(3-acetyloxy-2,2,4-trimethylpentyl) acetate
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CAS No:
4100-09-8
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Formula:
C12H22O4
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Chemical Name:
(3-acetyloxy-2,2,4-trimethylpentyl) acetate
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Synonyms:
2,2,4-Trimethyl-1,3-pentanediol diacetate;4100-09-8;NSC2809;(3-acetyloxy-2,2,4-trimethylpentyl) acetate;SCHEMBL966390;NSC-2809;1,3-diacetoxy-2,2,4-trimethyl-pentane;2,4-TRIMETHYL-1,3-PENTANEDIOL, DIACETATE
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CAS No:
Computed Properties
Molecular Weight:230.30
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:230.15180918
Monoisotopic Mass:230.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:256
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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