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1363165-96-1 | Propanoic acid, 2-methoxy-2-methyl-, phenylmethyl ester
CAS No: 1363165-96-1 Catalog No: AG0011LR MDL No:MFCD21641338
Product Description
Catalog Number:
AG0011LR
Chemical Name:
Propanoic acid, 2-methoxy-2-methyl-, phenylmethyl ester
CAS Number:
1363165-96-1
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD21641338
IUPAC Name:
benzyl 2-methoxy-2-methylpropanoate
InChI:
InChI=1S/C12H16O3/c1-12(2,14-3)11(13)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
POWWFYBNJKTQHX-UHFFFAOYSA-N
SMILES:
COC(C(=O)OCc1ccccc1)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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