디메틸(3-페녹시-2-옥소프로필)포스포네이트

Dimethyl 2-oxo-3-phenoxypropylphosphonate

HCID 580104

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40665-68-7
표준 SMILES: COP(=O)(CC(=O)COc1ccccc1)OC
InChIKey: NQTSTBMCCAVWOS-UHFFFAOYSA-N
분자식: C11H15O5P
평균 분자량: 258.21 g/mol
단동위원소 질량: 258.06571057

이름 및 식별자

우선 이름: Dimethyl 2-oxo-3-phenoxypropylphosphonate
IUPAC: 1-dimethoxyphosphoryl-3-phenoxypropan-2-one
현지명: 디메틸(3-페녹시-2-옥소프로필)포스포네이트
영어명: Dimethyl(3-phenoxy-2-oxopropyl)phosphonate
분자식: C11H15O5P
분자량: 258.21

이름 및 동의어

40665-68-7Dimethyl 2-oxo-3-phenoxypropylphosphonateDTXSID30342248RefChem:338538DTXCID90293328Dimethyl (2-oxo-3-phenoxypropyl)phosphonateDimethyl(3-phenoxy-2-oxopropyl)phosphonate1-dimethoxyphosphoryl-3-phenoxypropan-2-oneDimethyl (3-phenoxy-2-oxoproyl)phosphonateDIMETHYL (3-PHENOXYACETONYL)PHOSPHONATEMFCD00010225Tafluprost Impurity 10

이름 더 보기

디메틸(3-페녹시-2-옥소프로필)포스포네이트Latanoprost intEnprostil intermediatesTafluprost intermediatesDimethyl (2-oxo-3-phenoxypropyl)[2-Oxo-3phenoxy-propyl]-phosphonicDIMETHYL)2-OXO-3-PHENOXPROPYL)PHOSPHONATEDimethyl(2-oxo-3-phenoxypropyl)phosphonate

P-(2-oxo-3-Phenoxypropyl)phosphonic Acid Dimethyl Ester; (2-oxo-3-Phenoxypropyl)phosphonic Acid Dimethyl Ester; (2-Oxo-3-phenoxypropyl)phosphonic Acid Dimethyl Ester; Dimethyl (2-oxo-3-phenoxypropyl)phosphonate; Dimethyl (3-Phenoxyacetonyl)phosphonate; Dimethyl 3-{Phenoxy-2-oxopropylphosphonatePhosphonic acid, (2-oxo-3-phenoxypropyl)-, dimethyl esterPhosphonic acid, P-(2-oxo-3-phenoxypropyl)-, dimethyl ester7MYZ6P2U9Q(3-Phenoxyacetonyl)phosphonic Acid Dimethyl EsterDIMETHYL (3-PHENOXY-2-OXOPROPYL)PHOSPHONATESCHEMBL244446(2-Oxo-3-phenoxypropyl)phosphonic Acid Dimethyl Ester

데이터베이스 식별자

CAS: 40665-68-7
PubChem CID: 580104
DTXSID: DTXSID30342248
UNII: 7MYZ6P2U9Q
Nikkaji: J236.446H

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 38 · 38 - 40°C
끓는 점: 175 °C/0.5mmHg · 175°C/0.5mmHg(lit.)
밀도: 1.209 · 1.209±0.06 g/cm3(Predicted)
굴절률: 1.515 · 1.5150-1.5190
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 노란색 오일
Specific Gravity: 1.07 · 1.07
InChI: InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-10(12)8-16-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKey: NQTSTBMCCAVWOS-UHFFFAOYSA-N
SMILES: P(CC(=O)COC1=CC=CC=C1)(=O)(OC)OC