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102019-30-7 | Benzoic acid, 3,5-bis(acetyloxy)-4-(phenylmethoxy)-, methyl ester
CAS No: 102019-30-7 Catalog No: AG0006BZ MDL No:
Product Description
Catalog Number:
AG0006BZ
Chemical Name:
Benzoic acid, 3,5-bis(acetyloxy)-4-(phenylmethoxy)-, methyl ester
CAS Number:
102019-30-7
Molecular Formula:
C19H18O7
Molecular Weight:
358.3420
IUPAC Name:
methyl 3,5-diacetyloxy-4-phenylmethoxybenzoate
InChI:
InChI=1S/C19H18O7/c1-12(20)25-16-9-15(19(22)23-3)10-17(26-13(2)21)18(16)24-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChI Key:
XJQITWMHGLORQQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC(=O)C)c(c(c1)OC(=O)C)OCc1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.346g/mol
Monoisotopic Mass:
358.105g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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