(S)-(+)-2,2-디메틸시클로프로판카르복시산

(1S)-2,2-Dimethylcyclopropane-1-carboxylic acid

HCID 10192561

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14590-53-5
표준 SMILES: CC1(C)C[C@@H]1C(=O)O
InChIKey: BFNMOMYTTGHNGJ-SCSAIBSYSA-N
분자식: C6H10O2
평균 분자량: 114.14 g/mol
단동위원소 질량: 114.06807956

이름 및 식별자

우선 이름: (1S)-2,2-Dimethylcyclopropane-1-carboxylic acid
IUPAC: (1S)-2,2-dimethylcyclopropane-1-carboxylic acid
현지명: (S)-(+)-2,2-디메틸시클로프로판카르복시산
영어명: (S)-(+)-2,2-DIMETHYLCYCLOPROPANE CARBOXYLIC ACID
분자식: C6H10O2
분자량: 114.14

이름 및 동의어

14590-53-5(1S)-2,2-dimethylcyclopropane-1-carboxylic acidDTXSID20436524RefChem:393851DTXCID00387348(+)-2,2-dimethylcyclopropanecarboxylic acid679-761-1(S)-2,2-Dimethylcyclopropanecarboxylic acid(S)-(+)-2,2-Dimethylcyclopropanecarboxylic Acid(S)-(+)-2,2-dimethylcyclopropane carboxylic acidMFCD08460918Cyclopropanecarboxylic acid, 2,2-dimethyl-, (1S)-

이름 더 보기

(S)-(+)-2,2-디메틸시클로프로판카르복시산(S)-(+)-DMCPCADimethylcyclopropanecarboxylic acid(S)-2,2-Dimethyl cycolpropanecarboxylic acid(S)-(+)-2,2-DimethylcyclopropanecarboxylicAcid>

(S)-2,2-Dimethylcyclopropane-1-carboxylic acidSCHEMBL2681249CL4550AKOS015842158CS-W019469(S)-2,2-DimethylcyclopropanecarboxylicacidEN300-116732(1S)-2,2-dimethylcyclopropanecarboxylic acid

데이터베이스 식별자

CAS: 14590-53-5
PubChem CID: 10192561
DTXSID: DTXSID20436524
EC Number: 679-761-1
Nikkaji: J1.031.225F

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 100 °C · 100 °C / 12mmHg
밀도: 0.99 · 0.99
굴절률: 124 ° · 124 ° (C=1, MeOH)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.99 · 4.99±0.22(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)

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.