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157942-12-6 | Benzoic acid, 3-hydroxy-4-iodo-, methyl ester
CAS No: 157942-12-6 Catalog No: AG001PUG MDL No:MFCD06203960
Product Description
Catalog Number:
AG001PUG
Chemical Name:
Benzoic acid, 3-hydroxy-4-iodo-, methyl ester
CAS Number:
157942-12-6
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0439
MDL Number:
MFCD06203960
IUPAC Name:
methyl 3-hydroxy-4-iodobenzoate
InChI:
InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChI Key:
LXCQVWRESZDFGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)O)I
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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