Home Other Building Blocks benzyl 2,4-dihydroxy-3,6-dimethylbenzoate

benzyl 2,4-dihydroxy-3,6-dimethylbenzoate

CAS No.:
56410-30-1
Catalog Number:
AG0039CS
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
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Product Description
Catalog Number:
AG0039CS
Chemical Name:
benzyl 2,4-dihydroxy-3,6-dimethylbenzoate
CAS Number:
56410-30-1
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
MDL Number:
MFCD27920982
IUPAC Name:
benzyl 2,4-dihydroxy-3,6-dimethylbenzoate
InChI:
InChI=1S/C16H16O4/c1-10-8-13(17)11(2)15(18)14(10)16(19)20-9-12-6-4-3-5-7-12/h3-8,17-18H,9H2,1-2H3
InChI Key:
VSKQSANOBRVUSO-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)cc(c(c1O)C)O)OCc1ccccc1
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties