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1257397-49-1 | Benzeneacetic acid, 4-formyl-3-hydroxy-α,α-dimethyl-, methyl ester
CAS No: 1257397-49-1 Catalog No: AG000OLI MDL No:
Product Description
Catalog Number:
AG000OLI
Chemical Name:
Benzeneacetic acid, 4-formyl-3-hydroxy-α,α-dimethyl-, methyl ester
CAS Number:
1257397-49-1
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
methyl 2-(4-formyl-3-hydroxyphenyl)-2-methylpropanoate
InChI:
InChI=1S/C12H14O4/c1-12(2,11(15)16-3)9-5-4-8(7-13)10(14)6-9/h4-7,14H,1-3H3
InChI Key:
ZFQRONKWJGAWEZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)O)C=O)(C)C
Properties
Complexity:
272
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:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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