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85604-74-6 | Benzoic acid,2-(4-hydroxy-3,5-dimethylbenzoyl)-
CAS No: 85604-74-6 Catalog No: AG004U51 MDL No:
Product Description
Catalog Number:
AG004U51
Chemical Name:
Benzoic acid,2-(4-hydroxy-3,5-dimethylbenzoyl)-
CAS Number:
85604-74-6
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
2-(4-hydroxy-3,5-dimethylbenzoyl)benzoic acid
InChI:
InChI=1S/C16H14O4/c1-9-7-11(8-10(2)14(9)17)15(18)12-5-3-4-6-13(12)16(19)20/h3-8,17H,1-2H3,(H,19,20)
InChI Key:
ZCZCMCBHMZQTTD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1cc(C)c(c(c1)C)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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