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127273-14-7 | Benzoic acid, 4-(2-carboxy-2-hydroxyethenyl)-
CAS No: 127273-14-7 Catalog No: AG000WTJ MDL No:
Product Description
Catalog Number:
AG000WTJ
Chemical Name:
Benzoic acid, 4-(2-carboxy-2-hydroxyethenyl)-
CAS Number:
127273-14-7
Molecular Formula:
C10H8O5
Molecular Weight:
208.1675
IUPAC Name:
4-(2-carboxy-2-hydroxyethenyl)benzoic acid
InChI:
InChI=1S/C10H8O5/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-5,11H,(H,12,13)(H,14,15)
InChI Key:
IOUOEGVYQAJKOF-UHFFFAOYSA-N
SMILES:
OC(=Cc1ccc(cc1)C(=O)O)C(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.169g/mol
Monoisotopic Mass:
208.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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