CAS 1194655-80-5 3-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acid (HCID 58266981)

기본 정보

CAS: 1194655-80-5
표준 SMILES: O=C(O)c1cc2c(s1)C1CCC2C1
InChIKey: DWLMCBCPGLTBCX-UHFFFAOYSA-N
분자식: C10H10O2S
평균 분자량: 194.25 g/mol
단동위원소 질량: 194.04015073

이름 및 식별자

우선 이름: 3-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acid
IUPAC: 3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene-4-carboxylic acid

이름 및 동의어

1194655-80-53-thiatricyclo[5.2.1.0,2,6]deca-2(6),4-diene-4-carboxylic acid3-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acidRefChem:505428856-976-04,5,6,7-Tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxylic AcidSCHEMBL1782124DWLMCBCPGLTBCX-UHFFFAOYSA-NEN300-1241203-thiatricyclo[5.2.1.0,2,6]deca-2(6),4-diene-4-carboxylicacid

데이터베이스 식별자

CAS: 1194655-80-5
PubChem CID: 58266981
EC Number: 856-976-0

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 253

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.