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68189-17-3 | formaldehyde; 2-hydroxybenzoic acid; 2-methylphenol
CAS No: 68189-17-3 Catalog No: AG005LX9 MDL No:
Product Description
Catalog Number:
AG005LX9
Chemical Name:
formaldehyde; 2-hydroxybenzoic acid; 2-methylphenol
CAS Number:
68189-17-3
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
formaldehyde;2-hydroxybenzoic acid;2-methylphenol
InChI:
InChI=1S/C7H6O3.C7H8O.CH2O/c8-6-4-2-1-3-5(6)7(9)10;1-6-4-2-3-5-7(6)8;1-2/h1-4,8H,(H,9,10);2-5,8H,1H3;1H2
InChI Key:
QVIQIDOBXMRPQU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1O.Cc1ccccc1O.C=O
EC Number:
614-371-7
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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