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199177-25-8 | Acetic acid, 2-(4-formylphenoxy)-, 1-methylethyl ester
CAS No: 199177-25-8 Catalog No: AG002BXX MDL No:MFCD04327989
Product Description
Catalog Number:
AG002BXX
Chemical Name:
Acetic acid, 2-(4-formylphenoxy)-, 1-methylethyl ester
CAS Number:
199177-25-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD04327989
IUPAC Name:
propan-2-yl 2-(4-formylphenoxy)acetate
InChI:
InChI=1S/C12H14O4/c1-9(2)16-12(14)8-15-11-5-3-10(7-13)4-6-11/h3-7,9H,8H2,1-2H3
InChI Key:
SIPMCPQKUMPVBW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCC(=O)OC(C)C
Properties
Complexity:
229
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:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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