cis-피노니산

2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid

HCID 719233

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61826-55-9
표준 SMILES: CC(=O)[C@@H]1C[C@H](CC(=O)O)C1(C)C
InChIKey: SIZDUQQDBXJXLQ-SFYZADRCSA-N
분자식: C10H16O3
평균 분자량: 184.23 g/mol
단동위원소 질량: 184.10994437

이름 및 식별자

우선 이름: 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid
IUPAC: 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid
현지명: cis-피노니산
영어명: Pinonic acid
분자식: C10H16O3
분자량: 184.23

이름 및 동의어

2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid52305-34-761826-55-9Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, (1R,3R)-rel-2-((1R,3R)-3-acetyl-2,2-dimethylcyclobutyl)acetic acidrac-2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acidMFCD25970441cis-3-Acetyl-2,2-dimethylcyclobutaneacetic acidrel-2-((1R,3R)-3-Acetyl-2,2-dimethylcyclobutyl)acetic acidMFCD00001327NSC 29469cis-Pinonic acid, 98%

이름 더 보기

cis-피노니산CIS-PINONIC ACIDAKOS BB-9735Pinonic acidcis-Pinonic acid,98%cis-Pinonic acid 98%LABOTEST-BB LT00012631cis-Pinonic acidcis-Pinonic acid in methanol2-(3-Acetyl-2,2-dimethylcyclobutyl)CIS-3-ACETYL-2,2-DIMETHYL-CYCLOBUTANEACETIC ACID

2-((1S,3S)-3-Acetyl-2,2-dimethylcyclobutyl)-acetic acid(1R,3R)-cis-Pinonic acidSCHEMBL4905394DTXSID40102576864396-97-0AKOS026726682AT41694AS-71105

데이터베이스 식별자

CAS: 61826-55-9
PubChem CID: 719233
DTXSID: DTXSID401025768
Nikkaji: J35.858D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 54.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 243

실험 및 물리화학적 성질

Kovats Retention Index1427

물리화학적 성질

녹는점: 104 · 104-107 °C (lit.)
끓는 점: 258.19 °C · 258.19°C (rough estimate)
밀도: 1.0655 · 1.0655 (rough estimate)
굴절률: 1.523 · 1.5230 (estimate)
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKey: SIZDUQQDBXJXLQ-SFYZADRCSA-N
SMILES: CC(=O)[C@@H]1C[C@H](CC(O)=O)C1(C)C
EPA: 3 · Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, (1R,3R)-rel- (61826-55-9)

화학적 성질

WHITE TO SLIGHTLY YELLOW CRYSTALLINE SOLID

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29183000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명cis-Pinonic acid undergoes oxidation to produce secondary organic aerosol (SOA).

공급사23 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

화합물 노트

불러오는 중…