COC(=O)C1=CC=CC(=C1)C(=O)O
CAS: 1877-71-0
Nom: 3-methoxycarbonylbenzoic acid
SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

Molecular Processing

Molecular formula
C9H8O4
Molecular weight
180.16
Exact mass
180.0423
XLogP
1.17
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
44.74

Supplementary Information

InChIKey: WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Synonymes
3-(Methoxycarbonyl)benzoic acid1877-71-0DTXSID00345100RefChem:495388DTXCID10296174619-855-1mono-Methyl isophthalateMonomethyl isophthalateMethyl hydrogen isophthalate3-methoxycarbonylbenzoic acidIsophthalic acid monomethyl esterMFCD00029972Isophthalic acid, monomethyl estermethyl 3-carboxybenzoate1,3-Benzenedicarboxylic acid, 1-methyl esterIsophthalic acid, methyl ester1,3-Benzenedicarboxylic acid, monomethyl esterisophthalic acid methyl estermethyl m-phthalatem-Methyl isophthalate3-Carbomethoxybenzoic acid2PQ3SEG88MSCHEMBL397973-(Methoxycarbonyl)benzoicacidisophtalic acid monomethyl estermono-Methyl isophthalate, 97%SCHEMBL4628388SCHEMBL11082374SCHEMBL21268393SCHEMBL30262601
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→