Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid

HCID 2733865CAS 16200-53-6

기본 정보

표준 SMILES: O=C(O)C12CC3CC(CC1C3)C2
InChIKey: RXUUYFUQAGICCD-UHFFFAOYSA-N
분자식: C10H14O2
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.09937969

이름 및 식별자

우선 이름: Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid
IUPAC: tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

이름 및 동의어

16200-53-6hexahydro-2,5-methanopentalene-3a(1h)-carboxylic acidDTXSID101212617hexahydro-2,5-methanopentalene-3a[1H]-carboxylic acidRefChem:786133DTXCID101643971Octahydro-2,5-methanopentalene-3a-carboxylic acid3-Noradamantane carboxylic acid2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro-tricyclo[3.3.1.03,7]nonane-3-carboxylic acidSCHEMBL392678BDBM36211

이름 더 보기

RXUUYFUQAGICCD-UHFFFAOYSA-3-noradamantanecarboxylate (NAC)AKOS015892776FN00329ST100809SY057061CS-0012219N0621

데이터베이스 식별자

CAS: 16200-53-6
PubChem CID: 2733865
DTXSID: DTXSID101212617
EC Number: 681-354-9
Nikkaji: J364.564I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 232

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.