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20146-10-5 | Benzenepropanoic acid, 3-bromo-4-hydroxy-
CAS No: 20146-10-5 Catalog No: AG002DFC MDL No:
Product Description
Catalog Number:
AG002DFC
Chemical Name:
Benzenepropanoic acid, 3-bromo-4-hydroxy-
CAS Number:
20146-10-5
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
3-(3-bromo-4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H9BrO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChI Key:
XNAOWXULVKRRJW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)Br)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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