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84787-70-2 | Sandalwood oil from Santalum album L.
CAS No: 84787-70-2 Catalog No: AG003U79 MDL No:
Product Description
Catalog Number:
AG003U79
Chemical Name:
Sandalwood oil from Santalum album L.
CAS Number:
84787-70-2
IUPAC Name:
4-(4-carboxyphenyl)benzoic acid
InChI:
InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
NEQFBGHQPUXOFH-UHFFFAOYSA-N
NSC Number:
60016
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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