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776-79-4 | 2-(2-Carboxyethyl)benzoic acid
CAS No: 776-79-4 Catalog No: AG003I0F MDL No:MFCD00016550
Product Description
Catalog Number:
AG003I0F
Chemical Name:
2-(2-Carboxyethyl)benzoic acid
CAS Number:
776-79-4
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00016550
IUPAC Name:
2-(2-carboxyethyl)benzoic acid
InChI:
InChI=1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key:
VEEXBQLWMFMATJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccccc1C(=O)O
NSC Number:
16637
Properties
Complexity:
224
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:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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