Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid

HCID 736153CAS 73873-59-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1CCC(C(=O)O)CC1
InChIKey: WKILSRYNRQGRMA-UHFFFAOYSA-N
분자식: C8H14O3
평균 분자량: 158.19 g/mol
단동위원소 질량: 158.09429431

개요

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이름 및 식별자

우선 이름: Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid
IUPAC: 4-methoxycyclohexane-1-carboxylic acid
영어명: cis-4-methoxycyclohexane-1-carboxylic acid
분자식: C8H14O3
분자량: 158.2

이름 및 동의어

73873-61-773873-59-3RefChem:873123Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acidrac-(1s,4s)-4-methoxycyclohexane-1-carboxylic acid892-635-2992-407-34-METHOXYCYCLOHEXANECARBOXYLIC ACID95233-12-8trans-4-methoxycyclohexanecarboxylic acid4-methoxycyclohexane-1-carboxylic Acidcis-4-methoxycyclohexane-1-carboxylic acid

이름 더 보기

(1S,4S)-4-METHOXYCYCLOHEXANECARBOXYLIC ACID(1s,4s)-4-Methoxycyclohexane-1-carboxylic acidrel-(1S,4S)-4-Methoxycyclohexanecarboxylic acidrel-(1s,4s)-4-methoxycyclohexane-1-carboxylic acidcis-4-methoxycyclohexanecarboxylic acid - [M25142]

trans-4-methoxycyclohexane-1-carboxylic acidcis-4-methoxycyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-methoxy-MFCD00074992MFCD20488929(1r,4r)-4-methoxycyclohexane-1-carboxylic acidTrans-4-methoxycyclohexane carboxylic acidCyclohexanecarboxylic acid, 4-methoxy-, cis-

데이터베이스 식별자

CAS: 73873-59-3、73873-61-7、95233-12-8
PubChem CID: 736153
DTXSID: DTXSID801347396
EC Number: 892-635-2、992-407-3
Nikkaji: J785.085I、J814.345E

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 54.8 · 54.8-55.8 °C
끓는 점: 266.6 · 266.6±33.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: 0 · Store at 0-8 °C
산도 계수 (pKa): 4.81 · 4.81±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

Warning

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

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301

화학 및 산업

응용 분야

용도cis-4-Methoxycyclohexane-1-carboxylic Acid is used in the preparation of tricyclic guanidine derivs. useful as inhibitors of PDE1 in the treatment of neurological or psychiatric disorders.