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131524-43-1 | Benzoic acid, 2-formyl-3-hydroxy-, methyl ester
CAS No: 131524-43-1 Catalog No: AG000ZBS MDL No:MFCD22665932
Product Description
Catalog Number:
AG000ZBS
Chemical Name:
Benzoic acid, 2-formyl-3-hydroxy-, methyl ester
CAS Number:
131524-43-1
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD22665932
IUPAC Name:
methyl 2-formyl-3-hydroxybenzoate
InChI:
InChI=1S/C9H8O4/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-5,11H,1H3
InChI Key:
HFDRLLQFITZSMY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C=O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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