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18859-30-8 | Benzoic acid, 4-(2-oxopropoxy)-
CAS No: 18859-30-8 Catalog No: AG002H19 MDL No:
Product Description
Catalog Number:
AG002H19
Chemical Name:
Benzoic acid, 4-(2-oxopropoxy)-
CAS Number:
18859-30-8
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
4-(2-oxopropoxy)benzoic acid
InChI:
InChI=1S/C10H10O4/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
GCRJLCRIYWGVRQ-UHFFFAOYSA-N
SMILES:
CC(=O)COc1ccc(cc1)C(=O)O
NSC Number:
211912
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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