4-(메톡시카르보닐)비시클로[2.2.1]헵탄-1-카르복실산

4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acid

HCID 13761774

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 15448-77-8
표준 SMILES: COC(=O)C12CCC(C(=O)O)(CC1)C2
InChIKey: KVIKABYOBCHKNX-UHFFFAOYSA-N
분자식: C10H14O4
평균 분자량: 198.22 g/mol

이름 및 식별자

우선 이름: 4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acid
IUPAC: 4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid
현지명: 4-(메톡시카르보닐)비시클로[2.2.1]헵탄-1-카르복실산
영어명: 4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylicacid
분자식: C10H14O4
분자량: 198.22

이름 및 동의어

4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic acid4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acidRefChem:516257835-110-515448-77-8MFCD20638750Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, monomethyl ester4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acidSCHEMBL15360774-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylicacidSCHEMBL16875558AKOS022645828

이름 더 보기

4-(메톡시카르보닐)비시클로[2.2.1]헵탄-1-카르복실산1-Methyl bicyclo[2.2.1]heptane-1,4-dicarboxylate4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylate4-carbomethoxybicycloheptane-1-carboxylic acidBicyclo[2.2.1]heptane-1,4-dicarboxylic acid, 1-methyl ester

SB15501AS-51499SY120854EN300-178310P12806A900971KVIKABYOBCHKNX-UHFFFAOYSA-NQAA44877

데이터베이스 식별자

CAS: 15448-77-8
PubChem CID: 13761774
EC Number: 835-110-5

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 286

물리화학적 성질

녹는점: 105 · 105-107 °C
끓는 점: 305.7 · 305.7±25.0 °C(Predicted)
밀도: 1.37 · 1.370±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.5 · 4.50±0.10(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2917200090

화학 및 산업

응용 분야

용도4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic Acid (CAS# 15448-77-8) is a reagent having SIRT6 activating effect, and is used for treating peripheral inflammatory disease.