4-(Methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylic Acid - CAS 141046-52-8
Catalog: |
BB056402 |
Product Name: |
4-(Methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylic Acid |
CAS: |
141046-52-8 |
Synonyms: |
1-Methyl Bicyclo[2.1.1]hexane-1,4-dicarboxylate |
IUPAC Name: | 4-methoxycarbonylbicyclo[2.1.1]hexane-1-carboxylic acid |
Description: | 4-(Methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylic acid (CAS# 141046-52-8) is a useful research chemical compound. |
Molecular Weight: | 184.19 |
Molecular Formula: | C9H12O4 |
Canonical SMILES: | COC(=O)C12CCC(C1)(C2)C(=O)O |
InChI: | InChI=1S/C9H12O4/c1-13-7(12)9-3-2-8(4-9,5-9)6(10)11/h2-5H2,1H3,(H,10,11) |
InChI Key: | YXVUNUBFPAVHRP-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019300490-A1 | Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof | 20180228 |
EP-3760619-A1 | Saturated ring-condensed dihydropyrimidinone or dihydrotriazinone compound, and pharmaceutical use thereof | 20180228 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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