CAS 170811-08-2 (trans-4-(Hydroxymethyl)cyclohexyl)methyl 4-methylbenzenesulfonate (HCID 10266716)

기본 정보

CAS: 170811-08-2
표준 SMILES: Cc1ccc(S(=O)(=O)OCC2CCC(CO)CC2)cc1
InChIKey: ASIMZMWFIWAOJZ-UHFFFAOYSA-N
분자식: C15H22O4S
평균 분자량: 298.4 g/mol
단동위원소 질량: 298.12388035

이름 및 식별자

우선 이름: (trans-4-(Hydroxymethyl)cyclohexyl)methyl 4-methylbenzenesulfonate
IUPAC: [4-(hydroxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate

이름 및 동의어

170811-08-2(trans-4-(Hydroxymethyl)cyclohexyl)methyl 4-methylbenzenesulfonate(4-(Hydroxymethyl)cyclohexyl)methyl 4-methylbenzenesulfonate[4-(hydroxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonateSCHEMBL2511537SCHEMBL2511539DTXSID30437643ASIMZMWFIWAOJZ-HDJSIYSDSA-N(trans-4-(Hydroxymethyl)cyclohexyl)methyl4-methylbenzenesulfonateMFCD24386816rel-((1s,4s)-4-(Hydroxymethyl)cyclohexyl)methyl 4-methylbenzenesulfonate109004-13-9

이름 더 보기

476415-26-6DB-237009CS-0492324A1-32562trans-4-(hydroxymethyl)cyclohexylmethyl toluene-4-sulfonate[4-(Hydroxymethyl)cyclohexyl]methyl 4-methylbenzene-1-sulfonatetrans-4-(hydroxymethyl)cyclohexylmethyl 4-methylbenzenesulfonate

데이터베이스 식별자

CAS: 170811-08-2
PubChem CID: 10266716
DTXSID: DTXSID30437643

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 72 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 371

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