3-Thiophenepropanoicacid - CAS 16378-06-6
Catalog: |
BB043883 |
Product Name: |
3-Thiophenepropanoicacid |
CAS: |
16378-06-6 |
Synonyms: |
3-(Thiophen-3-yl)propanoic acid; 3-Thiophenepropanoic acid; 3-Thien-3-ylpropanoic acid; 3-(3-Thienyl)propanoic acid |
IUPAC Name: | 3-thiophen-3-ylpropanoic acid |
Description: | 3-Thiophenepropanoicacid (CAS# 16378-06-6 ) is a useful research chemical. |
Molecular Weight: | 156.20 |
Molecular Formula: | C7H8O2S |
Canonical SMILES: | C1=CSC=C1CCC(=O)O |
InChI: | InChI=1S/C7H8O2S/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9) |
InChI Key: | YUSDDNTYMDWOCY-UHFFFAOYSA-N |
Density: | 1.271 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02450067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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