3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid

HCID 263764

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 936-87-8
표준 SMILES: CC1(C)C(C(=O)O)C1C(=O)O
InChIKey: MSPJNHHBNOLHOC-UHFFFAOYSA-N
분자식: C7H10O4
평균 분자량: 158.15 g/mol
단동위원소 질량: 158.0579088

이름 및 식별자

우선 이름: 3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid
IUPAC: 3,3-dimethylcyclopropane-1,2-dicarboxylic acid
영어명: cis-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
분자식: C7H10O4
분자량: 158.15

이름 및 동의어

3,3-Dimethyl-1,2-cyclopropanedicarboxylic acidRefChem:10656113,3-dimethylcyclopropane-1,2-dicarboxylic acid497-42-7NSC984363,3 DIMETHYL CIS 1,2 CYCLOPROPANE DICARBOXYLIC ACIDcaronic acidNSC 984363,3-Dimethyl-1,2-cyclopropanedicarboxylic acid #SCHEMBL3385056DTXSID809182951740-84-7

이름 더 보기

Carlonic acidcis-CaronicAcidcis-3,3-dimethylcyclopropane-1,2-dicarboxylic acid(1S,2R)-3,3-Dimethyl-cyclopropane-1,2-dicarboxylic acidrel-(1R,2S)-3,3-Dimethylcyclopropane-1,2-dicarboxylic acid1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, (1R,2S)-rel-3,3-dimethylcyclopropane-1,2-dicarboxylic acid cis-caronic acid

AAA93687NSC-98436AKOS027322878DB-150996CS-03106053,3-Dimethylcyclopropane-1,2-dicarboxylicacidF836161,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-

데이터베이스 식별자

CAS: 936-87-8
PubChem CID: 263764
DTXSID: DTXSID80918295
EC Number: 178-438-8
Nikkaji: J11.781A

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 178 · 178-179 °C
끓는 점: 281.928 · 281.928±23.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.362 · 1.362±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 3.996 · 3.996±0.42(predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.