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1365988-21-1 | D3-Methyl 2,4-dihydroxy-6-methyl benzoate
CAS No: 1365988-21-1 Catalog No: AG01FBLC MDL No:MFCD21332908
Product Description
Catalog Number:
AG01FBLC
Chemical Name:
D3-Methyl 2,4-dihydroxy-6-methyl benzoate
CAS Number:
1365988-21-1
Molecular Formula:
C9H7D3O4
Molecular Weight:
185.1918
MDL Number:
MFCD21332908
IUPAC Name:
trideuteriomethyl 2,4-dihydroxy-6-methylbenzoate
InChI:
InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3/i2D3
InChI Key:
NCCWCZLEACWJIN-BMSJAHLVSA-N
SMILES:
Oc1cc(C)c(c(c1)O)C(=O)OC([2H])([2H])[2H]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
185.193g/mol
Monoisotopic Mass:
185.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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