DL-Tropic acid - 10mM in DMSO , CAS No.529-64-6

CAS: 529-64-6 Cat. No.: D424541 분자식: C₉H₁₀O₃ 분자량: 166.17 EC 번호: 208-465-3

등급 & 순도 10mM in DMSO

Synonyms

alpha-Phenylhydracrylic acid | Tropic acid, 98% | Tropicamide impurity C | b-Hydroxyhydratropic acid | a-(Hydroxymethyl)phenylacetate | dl-Tropic acid | SCHEMBL468727 | alpha-Phenyl-beta-hydroxypropionic acid | Benzeneacetic acid, .alpha.-(hydroxymethyl)-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

사양

동의어

alpha-Phenylhydracrylic acid | Tropic acid, 98% | Tropicamide impurity C | b-Hydroxyhydratropic acid | a-(Hydroxymethyl)phenylacetate | dl-Tropic acid | SCHEMBL468727 | alpha-Phenyl-beta-hydroxypropionic acid | Benzeneacetic acid, .alpha.-(hydroxymethyl)-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

정식 스마일

C1=CC=C(C=C1)C(CO)C(=O)O

IUPAC Name

3-hydroxy-2-phenylpropanoic acid

InChIKey

JACRWUWPXAESPB-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

이성체 SMILES

C1=CC=C(C=C1)C(CO)C(=O)O

분자량

166.17

Reaxy-Rn

2209199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Beta-hydroxy acid - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: 3-hydroxy monocarboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 녹는점(°C): 116-118 °C(lit.)
• 분자량: 166.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 529-64-6, the molecular formula is 9H10O3, and the molecular weight is 166.17 g/mol. InChIKey JACRWUWPXAESPB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.