CAS 10071-26-8 Methyl 2-(3,6-dihydroxypyridazin-4-yl)acetate (HCID 12327764)

기본 정보

CAS: 10071-26-8
표준 SMILES: COC(=O)Cc1cc(=O)[nH][nH]c1=O
InChIKey: BQUPTTOGBOMLEB-UHFFFAOYSA-N
분자식: C7H8N2O4
평균 분자량: 184.15 g/mol
단동위원소 질량: 184.04840674

이름 및 식별자

우선 이름: Methyl 2-(3,6-dihydroxypyridazin-4-yl)acetate
IUPAC: methyl 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetate

이름 및 동의어

10071-26-8methyl 2-(3,6-dihydroxypyridazin-4-yl)acetateRefChem:813299893-079-3methyl(3,6-dioxo-1,2,3,6-tetrahydro-4-pyridazinyl)acetatemethyl 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetatemethyl2-(3,6-dihydroxypyridazin-4-yl)acetateBQUPTTOGBOMLEB-UHFFFAOYSA-NKAA07126MFCD32069357AT47036SY502265

이름 더 보기

DB-089662EN300-7427301Z3710554492Methyl (3,6-dioxo-1,2,3,6-tetrahydro-4-pyridazinyl)acetate

데이터베이스 식별자

CAS: 10071-26-8
PubChem CID: 12327764
EC Number: 893-079-3

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 84.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 295

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.