5-methyl-2-propan-2-ylhexanoic acid
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5-methyl-2-propan-2-ylhexanoic acid
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CAS No:
4384-07-0
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Formula:
C10H20O2
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Chemical Name:
5-methyl-2-propan-2-ylhexanoic acid
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Synonyms:
2-Isopropyl-5-methylhexanoic acid;4384-07-0;alpha,gamma-Diisopropylbutyric acid;2,4-Di-isopropylbuttersaeure [German];BRN 1757972;2,4-Di-isopropylbuttersaeure;3-Heptanecarboxylic acid, 2,6-dimethyl-;2-(1'-Methylpropylcapronsaeure) [German];HEXANOIC ACID, 2-ISOPROPYL-5-METHYL-;2-(1'-Methylpropylcapronsaeure);5-methyl-2-propan-2-ylhexanoic acid;4-02-00-01067 (Beilstein Handbook Reference);SCHEMBL1572883;DTXSID30873143;2-Isopropyl-5-methyl-hexanoic acid;5-Methyl-2-(propan-2-yl)hexanoic acid;Hexanoic acid, 5-methyl-2-(1-methylethyl)- (9CI)
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CAS No:
5-methyl-2-propan-2-ylhexanoic acid Basic Attributes
172.26 g/mol
172.146329876 g/mol
DTXSID30873143
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:172.26
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:139
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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