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100304-15-2 | Benzeneacetic acid, 4-(carboxymethoxy)-α-hydroxy-
CAS No: 100304-15-2 Catalog No: AG0001JZ MDL No:
Product Description
Catalog Number:
AG0001JZ
Chemical Name:
Benzeneacetic acid, 4-(carboxymethoxy)-α-hydroxy-
CAS Number:
100304-15-2
Molecular Formula:
C10H10O6
Molecular Weight:
226.1828
IUPAC Name:
4-[carboxy(hydroxy)methyl]-3-methoxybenzoic acid
InChI:
InChI=1S/C10H10O6/c1-16-7-4-5(9(12)13)2-3-6(7)8(11)10(14)15/h2-4,8,11H,1H3,(H,12,13)(H,14,15)
InChI Key:
QMCOLNKKAMIVGJ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)C(C(=O)O)O
EC Number:
600-055-6
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.184g/mol
Monoisotopic Mass:
226.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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