(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic Acid - CAS 58096-27-8
Catalog: |
BB029927 |
Product Name: |
(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic Acid |
CAS: |
58096-27-8 |
Synonyms: |
(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanecarboxylic acid; (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid |
IUPAC Name: | (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid |
Description: | (1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic Acid (CAS# 58096-27-8 ) is a useful research chemical. |
Molecular Weight: | 182.26 |
Molecular Formula: | C11H18O2 |
Canonical SMILES: | CC1C(CC2CC1C2(C)C)C(=O)O |
InChI: | InChI=1S/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8+,9+/m1/s1 |
InChI Key: | YCJJWXPLEWSYFQ-XGEHTFHBSA-N |
Boiling Point: | 267.4 °C at 760 mmHg |
Density: | 1.036 g/cm3 |
LogP: | 2.38930 |
GHS Hazard Statement: | H302 (100%): 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 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.130679813 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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