CAS: 2861-28-1
الاسم: 2-(1,3-benzodioxol-5-yl)acetic acid
SMILES:
C1OC2=C(O1)C=C(C=C2)CC(=O)OMolecular Processing
Molecular formula
C9H8O4
Molecular weight
180.16
Exact mass
180.0423
XLogP
1.04
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
43.9
Supplementary Information
InChIKey: ODVLMCWNGKLROU-UHFFFAOYSA-N
مرادفات
2861-28-11,3-Benzodioxole-5-acetic acidBenzo-1,3-dioxole-5-acetic acidAI3-19940EINECS 220-679-9DTXSID80182792NSC 14364RefChem:565209DTXCID20105283220-679-93,4-(Methylenedioxy)phenylacetic acid2-(Benzo[d][1,3]dioxol-5-yl)acetic acid3,4-Methylenedioxyphenylacetic acidHomopiperonylic acid(1,3-Benzodioxol-5-yl)acetic Acid2-(1,3-benzodioxol-5-yl)acetic acidMFCD000145762-(2H-1,3-Benzodioxol-5-Yl)Acetic Acid1,3-Benzodioxol-5-ylacetic acidNSC-143642-(1,3-dioxaindan-5-yl)acetic acid2-(3,4-methylenedioxyphenyl)acetic acidbenzo(1,3)dioxol-5-yl-acetic acidBenzo[1,3]dioxol-5-yl-acetic acidOprea1_381545SCHEMBL138875(Benzodioxol-5-yl)acetic acidSCHEMBL29642680BDBM231633HMS1664D10
مشارك في 3391 تفاعل→