2-(하이드록시메틸)-3-하이드록시-4H-피란-4-온

3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one

HCID 9869622CAS 1968-51-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1ccoc(CO)c1O
InChIKey: MOHHRUXIPJXZBS-UHFFFAOYSA-N
분자식: C6H6O4
평균 분자량: 142.11 g/mol
단동위원소 질량: 142.02660867

개요

2-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one has been reported in Talaromyces flavus with data available.

이름 및 식별자

우선 이름: 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
IUPAC: 3-hydroxy-2-(hydroxymethyl)pyran-4-one
현지명: 2-(하이드록시메틸)-3-하이드록시-4H-피란-4-온
영어명: 2-(Hydroxymethyl)-3-hydroxy-4H-pyran-4-one
분자식: C6H6O4
분자량: 142.11

이름 및 동의어

3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-oneRefChem:502320836-858-51968-51-02-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one2-(Hydroxymethyl)-3-hydroxy-4H-pyran-4-one3-hydroxy-2-(hydroxymethyl)pyran-4-oneSCHEMBL6998427DTXSID20432107MOHHRUXIPJXZBS-UHFFFAOYSA-NBAA968512-hydroxymethyl-3-hydroxy-4-pyrone

이름 더 보기

2-(하이드록시메틸)-3-하이드록시-4H-피란-4-온2-Hydroxymethyl-3-hydroxy-4H-pyran-4-one4H-Pyran-4-one, 3-hydroxy-2-(hydroxymethyl)-

AKOS0235566732-hydroxymethyl-3-hydroxy-pyran-4 (1H)-one2-hydroxymethyl-3-hydroxy-pyran-4(1 H)-oneEN300-234677Z1513596409

데이터베이스 식별자

CAS: 1968-51-0
PubChem CID: 9869622
DTXSID: DTXSID20432107
EC Number: 836-858-5
Nikkaji: J24.831B

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 214

물리화학적 성질

녹는점: 154 · 154-155 °C
끓는 점: 400.7 · 400.7±45.0 °C(Predicted)
밀도: 1.542 · 1.542±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.79 · 7.79±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

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