2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE
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2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE
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CAS No:
3205-31-0
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Formula:
C12H22O
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Chemical Name:
2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE
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Synonyms:
2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE;NSC229423;SCHEMBL1535989;ZINC4692754;AKOS005068271;NSC-229423;2,2,3,6,6-pentamethyl-3-hepten-5-one;2,2,5,6,6-Pentamethyl-4-heptene-3-one;(E)-2,2,5,6,6-Pentamethyl-4-heptene-3-one
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CAS No:
Computed Properties
Molecular Weight:182.30
XLogP3:4.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:182.167065321
Monoisotopic Mass:182.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:221
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE
2,2,5,6,6-PENTAMETHYLHEPTEN-3-ONE
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