COC(=O)C1=C2C=CC(=CC2=C(C=C1)I)O
CAS: 861880-80-0
이름: methyl 6-hydroxy-4-iodonaphthalene-1-carboxylate
SMILES: COC(=O)C1=C2C=CC(=CC2=C(C=C1)I)O

Molecular Processing

Molecular formula
C12H9IO3
Molecular weight
328.1
Exact mass
327.9596
XLogP
2.94
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
69.67

Supplementary Information

InChIKey: SYFMVPLWVNZZHH-UHFFFAOYSA-N
동의어
861880-80-0SCHEMBL2747430SYFMVPLWVNZZHH-UHFFFAOYSA-Nmethyl 6-hydroxy4-iodo-1-naphthoatemethyl 6-hydroxy-4-iodo-1-naphthoateDA-02109
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