CAS 27825-20-3 Methyl 3-hydroxypyrazine-2-carboxylate (HCID 1514283)

기본 정보

CAS: 27825-20-3
표준 SMILES: COC(=O)c1ncc[nH]c1=O
InChIKey: YVUBNSIFWJGXBQ-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

우선 이름: Methyl 3-hydroxypyrazine-2-carboxylate
IUPAC: methyl 2-oxo-1H-pyrazine-3-carboxylate
영어명: Methyl 3-hydroxypyrazine-2-carboxylate
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

Methyl 3-hydroxypyrazine-2-carboxylateRefChem:815519962-506-627825-20-3Methyl 2-hydroxy-3-pyrazinecarboxylateMethyl 3-Hydroxy-2-pyrazinecarboxylatemethyl 3-oxo-3,4-dihydropyrazine-2-carboxylateMFCD03093338methyl 2-oxo-1H-pyrazine-3-carboxylate2-Pyrazinecarboxylic acid, 3,4-dihydro-3-oxo-, methyl esterPyrazinecarboxylic acid, 3,4-dihydro-3-oxo-, methyl esterPyrazinecarboxylic acid, 3,4

이름 더 보기

2-Hydroxypyrazine-3-carboxylic acid methyl esterMETHYL 2-HYDROXY-3-PYRAZINECARBOXYLATE ISO 9001：2015 REACH

SCHEMBL162243SCHEMBL871602SCHEMBL19465853-Hydroxypyrazine-2-carboxylateDTXSID90363833YVUBNSIFWJGXBQ-UHFFFAOYSA-NAB7539methyl 3-hydroxy-2-pyrazinecarboxlate

데이터베이스 식별자

CAS: 27825-20-3
PubChem CID: 1514283
DTXSID: DTXSID90363833
EC Number: 962-506-6
Nikkaji: J47.671D

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 67.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 154 °C · 154 °C
밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.55 · 10.55±0.40(Predicted)
InChI: InChI=1S/C6H6N2O3/c1-11-6(10)4-5(9)8-3-2-7-4/h2-3H,1H3,(H,8,9)
InChIKey: YVUBNSIFWJGXBQ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=CNC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.