1334-87-8 ((Methyl 1-naphthylacetate)

CAS号:
1334-87-8
英文名称:
Methyl 1-naphthylacetate
分子式:
C13H12O2
分子量:
200.233183860779

Methyl 1-naphthylacetate(1334-87-8)名称与标识符

名称

英文别名:
B2TU4BI7PT;methyl naphthalen-1-ylacetate;SCHEMBL709403;AC-28035;Kartofin;alpha-Naphthaleneacetic acid methyl ester;EN300-61311;M 1 (Growth regulator);Naphthaleneacetic acid, methyl ester;Methyl 1-naphthylacetate;CHEMBL3182503;CCG-353649;1-Naphthylacetic acid methyl ester;Hormonit;N0570;NSC-122030;.alpha.-Naphthaleneacetic acid methyl ester;MFCD00004045;.alpha.-Naphthylacetic acid methyl ester;alpha-(1-Naphthyl)-acetic acid methyl ester;Methyl1-naphthaleneacetate;Z19679503;Enamine_001683;UNII-B2TU4BI7PT;CS-W015616;Naphthaleneacetic acid methyl ester;AI3-02253;naphthalene-1-acetic acid methyl ester;DTXCID0022143;alpha-naphthaleneacetic methyl ester;NSC 122030;Methyl naphthaleneacetic acid;Methyl 1-naphthaleneacetic acid;Methyl alpha-naphthylacetate;1-NAPHTHALENEACETIC ACID, METHYL ESTER;InChI=1/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3;BRN 1956293;SY003589;1-Naphthyl acetic acid-methyl ester;NCGC00254573-01;NSC122030;Methyl .alpha.-naphthylacetate;methyl 2-naphthalen-1-ylacetate;Methyl naphthalene-1-acetate;Methyl 1-naphthaleneacetate;Latka M-1 [Czech];2876-78-0;CAS-2876-78-0;METHYL ALPHA-NAPHTHALENEACETATE;1-Naphthaleneacetic Acid Methyl Ester;Methyl naphthaleneacetate;WLN: L66J B1VO1;Methyl-1-naphtaleneacetic acid;methyl 1-naphthalenylacetate;Methylester kyseliny 1-naftyloctove [Czech];YGGXZTQSGNFKPJ-UHFFFAOYSA-;Methyl 1-naphthaleneacetate, 96%;Methylester kyseliny 1-naftyloctove;Tox21_300665;DB-019278;alpha-Naphthylacetic acid methyl ester;F0701-0041;METHYL .ALPHA.-NAPHTHALENEACETATE;NCGC00248133-01;1334-87-8;NS00028538;STL507839;Methyl 1-naphthaleneacetate, PESTANAL(R), analytical standard;Q27274285;HMS1398M11;DS-10168;220-720-0;EINECS 220-720-0;DTXSID2042143;methyl 2-(naphthalen-1-yl)acetate;NAPHTHALENEACETIC ACID METHYL ESTER, 1-;Latka M-1;AKOS000295891;

标识符

InChIKey:
YGGXZTQSGNFKPJ-UHFFFAOYSA-N
Inchi:
1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
SMILES:
O(C)C(CC1C=CC=C2C=CC=CC=12)=O

Methyl 1-naphthylacetate(1334-87-8)物化性质

计算特性

  • 精确分子量 : 200.083729621Da
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 200.083729621Da
  • 重原子数量 : 15
  • 复杂度 : 225
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.1
  • 拓扑分子极性表面积 : 26.3Ų

Methyl 1-naphthylacetate(1334-87-8)相关文献