DL-Lactic acid - ≥90% , CAS No.50-21-5

CAS: 50-21-5 Cat. No.: L1526031 분자식: C₃H₆O₃ 분자량: 90.08 Beilstein Registry Number: 5238667 EC 번호: 200-018-0

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥90%

보관 조건

Room temperature

배송

Normal

순수함

≥90%

이름과 식별자

정식 스마일

CC(C(=O)O)O

IUPAC Name

2-hydroxypropanoic acid

InChIKey

JVTAAEKCZFNVCJ-UHFFFAOYSA-N

INCHI

1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)

이성체 SMILES

CC(C(=O)O)O

WGK 독일

2

UN 번호

3265

포장 그룹

I

분자량

90.08

Beilstein

5238667

Reaxy-Rn

1209341

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209341&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Hydroxy acids and derivatives
• Subclass: Alpha hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha hydroxy acids and derivatives
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
• External Descriptors: 2-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

• 굴절률: 1.4252-1.4272
• 발화점(°F): 235.4℉
• 발화점(°C): 113°C
• 끓는점(°C): 122°C
• 녹는점(°C): 18°C
• 분자량: 90.080 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 90.0317 Da
• Monoisotopic Mass: 90.0317 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 59.100
• 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