5-(3-hydroxyphenyl)pentanoic Acid - CAS 31129-95-0
Catalog: |
BB064433 |
Product Name: |
5-(3-hydroxyphenyl)pentanoic Acid |
CAS: |
31129-95-0 |
Synonyms: |
5-(3-hydroxyphenyl)pentanoic Acid; 3-Hydroxyphenyl-valeric acid; 5-(3-Hydroxyphenyl)valeric acid; 5-(3-hydroxyphenyl)pentanoicAcid |
IUPAC Name: | 5-(3-hydroxyphenyl)pentanoic acid |
Description: | 5-(3-hydroxyphenyl)pentanoic acid (cas# 31129-95-0) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | C1=CC(=CC(=C1)O)CCCCC(=O)O |
InChI: | InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14) |
InChI Key: | CMLIEOOXQFWANJ-UHFFFAOYSA-N |
Melting Point: | 115 - 117°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
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 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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