2-Hydroxybicyclo(2.2.1)heptane-2-carboxylic acid

HCID 12386946

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41248-20-8
표준 SMILES: O=C(O)C1(O)CC2CCC1C2
InChIKey: NLJMUWHNMKOGBO-UHFFFAOYSA-N
분자식: C8H12O3
평균 분자량: 156.18 g/mol
단동위원소 질량: 156.07864424

이름 및 식별자

우선 이름: 2-Hydroxybicyclo(2.2.1)heptane-2-carboxylic acid
IUPAC: 2-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
영어명: Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-hydroxy-
분자식: C8H12O3
분자량: 156.18

이름 및 동의어

2-Hydroxybicyclo[2.2.1]heptane-2-carboxylic acid41248-20-8DTXSID404957942-Hydroxybicyclo(2.2.1)heptane-2-carboxylic acidRefChem:261844DTXCID80446604899-822-8SCHEMBL8733039NLJMUWHNMKOGBO-UHFFFAOYSA-NRBA248202-hydroxy-2-norbornanecarboxylic acid2-hydroxynorbornane-2-carboxylic acid

이름 더 보기

Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-hydroxy-

AKOS017531321G49542EN300-12415992-Hydroxybicyclo[2.2.1]heptane-2-carboxylicacidZ1262516246

데이터베이스 식별자

CAS: 41248-20-8
PubChem CID: 12386946
DTXSID: DTXSID40495794
EC Number: 899-822-8

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 202

물리화학적 성질

녹는점: 90 °C · 90 °C
끓는 점: 323.8 · 323.8±25.0 °C(Predicted)
밀도: 1.383 · 1.383±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.89 · 3.89±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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.