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1400819-74-0 | Methyl 3-carboxyphenylpropanoate
CAS No: 1400819-74-0 Catalog No: AG01FEP0 MDL No:
Product Description
Catalog Number:
AG01FEP0
Chemical Name:
Methyl 3-carboxyphenylpropanoate
CAS Number:
1400819-74-0
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
3-(1-methoxy-1-oxopropan-2-yl)benzoic acid
InChI:
InChI=1S/C11H12O4/c1-7(11(14)15-2)8-4-3-5-9(6-8)10(12)13/h3-7H,1-2H3,(H,12,13)
InChI Key:
AIOFTBCQVHMTHC-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)C(=O)O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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