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864514-39-6 | Benzoic acid, 4,6-dihydroxy-3-methyl-2-(2-propenyl)-, methyl ester
CAS No: 864514-39-6 Catalog No: AG004QUN MDL No:
Product Description
Catalog Number:
AG004QUN
Chemical Name:
Benzoic acid, 4,6-dihydroxy-3-methyl-2-(2-propenyl)-, methyl ester
CAS Number:
864514-39-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
methyl 4,6-dihydroxy-3-methyl-2-prop-2-enylbenzoate
InChI:
InChI=1S/C12H14O4/c1-4-5-8-7(2)9(13)6-10(14)11(8)12(15)16-3/h4,6,13-14H,1,5H2,2-3H3
InChI Key:
ZLHQPYQDHKEXRA-UHFFFAOYSA-N
SMILES:
C=CCc1c(C(=O)OC)c(O)cc(c1C)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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