(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

HCID 641720CAS 73991-95-4

기본 정보

표준 SMILES: CC1(C)OC(=O)[C@H](CC(=O)O)O1
InChIKey: IDQOCLIWDMZKBZ-BYPYZUCNSA-N
분자식: C7H10O5
평균 분자량: 174.15 g/mol

이름 및 식별자

우선 이름: (S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
IUPAC: 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid

이름 및 동의어

73991-95-4(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acidMFCD00211273((4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic(S)-(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid(S)-(2,2-dimethyl-5-oxo-[1,3]dioxolan-4-yl)acetic acid1,3-dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4S)-2-((4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(L)-malic acid acetonideSCHEMBL1005092

이름 더 보기

IDQOCLIWDMZKBZ-BYPYZUCNSA-N(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)aceticacidAKOS016844195AS-69836SY033294DB-074771CS-0101555ST50405906

데이터베이스 식별자

CAS: 73991-95-4
PubChem CID: 641720
EC Number: 627-763-8
Nikkaji: J2.388.100D

물성

구조 계산 물성

XLogP: 0
극성 표면적: 72.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 220

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.