C1CC2=C(C1)C=C(C=C2)N=C=O
CAS: 120912-37-0
名称: 5-isocyanato-2,3-dihydro-1H-indene
SMILES: C1CC2=C(C1)C=C(C=C2)N=C=O

Molecular Processing

Molecular formula
C10H9NO
Molecular weight
159.19
Exact mass
159.0684
XLogP
2.14
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
46.25

Supplementary Information

InChIKey: PYJJKIOYUUDDDM-UHFFFAOYSA-N
同義語
120912-37-05-Indanyl isocyanateDTXSID90407428RefChem:303498DTXCID50358280626-623-35-isocyanatoindane5-isocyanato-2,3-dihydro-1H-indeneMFCD01863687Indan-5-yl isocyanate5-indanylisocyanate5-isocyanato-indan(5-indanyl)isocyanate5-Indanyl isocyanate, 97%SCHEMBL672098SCHEMBL30632049PYJJKIOYUUDDDM-UHFFFAOYSA-N2,3-dihydro-5-isocyanato-1H-indeneAKOS000168496BS-35962SY101602DB-350012CS-0250012EN300-48625G32766F307266
出典を見る →
15 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→