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CAS NO.3004-93-1
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2-METHYLOCTANOIC ACID Basic information |
Product Name: | 2-METHYLOCTANOIC ACID |
Synonyms: | 2-methyl-octanoicaci;a-methylcaprylicacid;Octanoicacid,2-methyl-;α-Methylcaprylicacid;2-METHYLOCTANOIC ACID;2-Methyloctansaure;2-methylcaprylic acid |
CAS: | 3004-93-1 |
MF: | C9H18O2 |
MW: | 158.24 |
EINECS: | 221-104-4 |
Product Categories: | |
Mol File: | 3004-93-1.mol |
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2-METHYLOCTANOIC ACID Chemical Properties |
Safety Information |
Risk Statements | 36/37/38 |
Safety Statements | 26-36/37/39 |
Molecular Weight | 158.23802 g/mol |
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Molecular Formula | C9H18O2 |
XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
Exact Mass | 158.13068 g/mol |
Monoisotopic Mass | 158.13068 g/mol |
Topological Polar Surface Area | 37.3 A^2 |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 110 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |