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1276019-92-1 | Benzoic acid, 2,4-dimethoxy-6-methyl-, 2-methylpropyl ester
CAS No: 1276019-92-1 Catalog No: AG000X7C MDL No:MFCD28156594
Product Description
Catalog Number:
AG000X7C
Chemical Name:
Benzoic acid, 2,4-dimethoxy-6-methyl-, 2-methylpropyl ester
CAS Number:
1276019-92-1
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
MDL Number:
MFCD28156594
IUPAC Name:
2-methylpropyl 2,4-dimethoxy-6-methylbenzoate
InChI:
InChI=1S/C14H20O4/c1-9(2)8-18-14(15)13-10(3)6-11(16-4)7-12(13)17-5/h6-7,9H,8H2,1-5H3
InChI Key:
YUSDRUUAZAXKNC-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)OC)C(=O)OCC(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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