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1224157-88-3 | Benzoic acid, 3-formyl-4-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1224157-88-3 Catalog No: AG00176Y MDL No:MFCD22370351
Product Description
Catalog Number:
AG00176Y
Chemical Name:
Benzoic acid, 3-formyl-4-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1224157-88-3
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD22370351
IUPAC Name:
tert-butyl 3-formyl-4-hydroxybenzoate
InChI:
InChI=1S/C12H14O4/c1-12(2,3)16-11(15)8-4-5-10(14)9(6-8)7-13/h4-7,14H,1-3H3
InChI Key:
LBSSNJFKFJEHIA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1O)C(=O)OC(C)(C)C
Properties
Complexity:
267
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:
2.4
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