CC(=O)OC1=CC=CC(=C1)C(=O)O
CAS: 6304-89-8
Название: 3-acetyloxybenzoic acid
SMILES: CC(=O)OC1=CC=CC(=C1)C(=O)O

Molecular Processing

Molecular formula
C9H8O4
Molecular weight
180.16
Exact mass
180.0423
XLogP
1.31
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
44.71

Supplementary Information

InChIKey: NGMYCWFGNSXLMP-UHFFFAOYSA-N
Синонимы
3-Acetoxybenzoic acidDTXSID90285889RefChem:496556DTXCID90237040628-787-16304-89-83-(acetyloxy)benzoic acid3-acetyloxybenzoic acidMFCD000166993-ACETOXYBENZOICACID3-acetoxy benzoic acidNSC431473-Acetoxybenzoesaure3-acetoxy-benzoic acidm-Acetoxy Benzoic AcidBenzoic acid, m-acetoxy3-Acetoxybenzoic acid, 98%SCHEMBL258461SCHEMBL21268244SCHEMBL28466125SCHEMBL29492631NSC 43147NSC-43147AKOS005068238CS-W017221EBC-686364FA68053AS-57454SY104372DB-054392
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