1-(Methoxycarbonyl)cyclopropanecarboxylic acid - CAS 113020-21-6
Catalog: |
BB003090 |
Product Name: |
1-(Methoxycarbonyl)cyclopropanecarboxylic acid |
CAS: |
113020-21-6 |
Synonyms: |
1-methoxycarbonyl-1-cyclopropanecarboxylic acid; 1-methoxycarbonylcyclopropane-1-carboxylic acid |
IUPAC Name: | 1-methoxycarbonylcyclopropane-1-carboxylic acid |
Description: | 1-(Methoxycarbonyl)cyclopropanecarboxylic acid (CAS# 113020-21-6) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C6H8O4 |
Canonical SMILES: | COC(=O)C1(CC1)C(=O)O |
InChI: | InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8) |
InChI Key: | IZYOHLOUZVEIOS-UHFFFAOYSA-N |
Boiling Point: | 245 ℃ |
Melting Point: | 47-51 ℃ |
Purity: | 95 % |
Density: | 1.419 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06800496 |
LogP: | 0.02420 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 20200221 |
AU-2020403705-A1 | Nitroxide derivative of rock kinase inhibitor | 20200221 |
EP-3901156-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
WO-2021164351-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
WO-2021163192-A1 | Myc inhibitors and uses thereof | 20200210 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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