C1=CC(=CC=C1C(=O)O)C(=O)O
CAS: 100-21-0
Название: terephthalic acid
SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Molecular Processing

Molecular formula
C8H6O4
Molecular weight
166.13
Exact mass
166.0266
XLogP
1.08
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
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
Molar refractivity
40.36

Supplementary Information

InChIKey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
Синонимы
TEREPHTHALIC ACID100-21-0p-Phthalic acid1,4-Benzenedicarboxylic acidbenzene-1,4-dicarboxylic acidp-Dicarboxybenzene1,4-dicarboxybenzeneAcide terephtaliquep-Benzenedicarboxylic acidp-Carboxybenzoic acidTephtholpara-Phthalic acidKyselina tereftalova4-Carboxybenzoic AcidTA-33MPWR 16262NSC 36973TA 12DTXSID60260806S7NKZ40BQNSC-36973DTXCID006080CHEBI:15702hydron;terephthalate4-oxoniocarbonylbenzoateP-PTHALIC ACIDRefChem:6289202-830-0685-562-0p-Phthalate
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