3-Methyl-4-pentenoic acid - CAS 1879-03-4
Catalog: |
BB014467 |
Product Name: |
3-Methyl-4-pentenoic acid |
CAS: |
1879-03-4 |
Synonyms: |
3-methylpent-4-enoic acid |
IUPAC Name: | 3-methylpent-4-enoic acid |
Description: | 3-Methyl-4-pentenoic acid (CAS# 1879-03-4 ) is a useful research chemical. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | CC(CC(=O)O)C=C |
InChI: | InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8) |
InChI Key: | QNPZXLANENFTFK-UHFFFAOYSA-N |
Boiling Point: | 75-76 °C / 4 mmHg (lit.) |
Density: | 0.94 g/mL at 25 °C(lit.) |
MDL: | MFCD03427129 |
LogP: | 1.28320 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3505506-A1 | Method for producing 3,7-dimethyl-7-octenol and method for producing 3,7-dimethyl-7-octenyl carboxylate compound | 20171226 |
US-10494322-B2 | Method for producing 3,7-dimethyl-7-octenol and method for producing 3,7-dimethyl-7-octenyl carboxylate compound | 20171226 |
US-2019194099-A1 | Method for producing 3,7-dimethyl-7-octenol and method for producing 3,7-dimethyl-7-octenyl carboxylate compound | 20171226 |
EP-3505506-B1 | Method for producing 3,7-dimethyl-7-octenol and method for producing 3,7-dimethyl-7-octenyl carboxylate compound | 20171226 |
KR-20190035353-A | Contact lends for treatment of eye disease and manufacturing method the same | 20170926 |
Complexity: | 96.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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