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Methyl 2-cyano-6-hydroxybenzoate

CAT: 0127-OR1060665-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060665-01Size:100 mg
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CAS Number
203201-45-0
Purity
98%
Smiles
O=C(OC)C1=C(O)C=CC=C1C#N

Chemical Information

Methyl 2-cyano-6-hydroxybenzoate
CAS Number203201-45-0
PubChem CID22014400
IUPAC Namemethyl 2-cyano-6-hydroxybenzoate
Molecular FormulaC9H7NO3
Molecular Weight177.16
XLogP1.7
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity242
SMILES
COC(=O)C1=C(C=CC=C1O)C#N
InChI
InChI=1S/C9H7NO3/c1-13-9(12)8-6(5-10)3-2-4-7(8)11/h2-4,11H,1H3
InChIKey
IPFVMQPFGHSMFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-cyano-6-hydroxybenzoate
CAS: 203201-45-0
CID: 22014400
Formula: C9H7NO3
MW: 177.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.16
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass177.042593085
Monoisotopic Mass177.042593085
Topological Polar Surface Area70.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JH159285Methyl 3-cyano-4-hydroxybenzoate
GAA52087-01Methyl 4-cyano-3-hydroxybenzoate
454956-01Methyl 2-fluoro-6-hydroxybenzoate
TRC-M296423-25MGMethyl 4,6-Bisbenzyloxy-2-hydroxybenzoate
455033-01Methyl 2,6-difluoro-3-hydroxybenzoate
AL BF 0526-01Methyl 2,4-difluoro-6-hydroxybenzoate
RG-M200862-01Methyl 2-Hydroxybenzoate
sc-353813AMethyl 2,3,5-trichloro-6-hydroxybenzoate
CHC37340-01Methyl 6-fluoro-2-formyl-3-hydroxybenzoate
BFC25920-01Methyl 4-cyano-2,6-difluorobenzoate

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