2-Benzylcyclopropane-1-carboxylic Acid - CAS 103986-55-6
Catalog: |
BB072664 |
Product Name: |
2-Benzylcyclopropane-1-carboxylic Acid |
CAS: |
103986-55-6 |
Synonyms: |
2-benzylcyclopropane-1-carboxylic acid; Cyclopropanecarboxylic acid, 2-(phenylmethyl)-; 2-Benzylcyclopropanecarboxylic acid; 2-Benzylcyclopropanecarboxylicacid |
IUPAC Name: | 2-benzylcyclopropane-1-carboxylic acid |
Description: | 2-benzylcyclopropane-1-carboxylic acid (cas# 103986-55-6) is a useful research chemical. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | C1C(C1C(=O)O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13) |
InChI Key: | NHRRSNXEZMRFKC-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Dark Yellow to Very Dark Yellow Oil |
Storage: | 4°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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