Home Other Building Blocks 2-(3-methoxy-3-oxopropyl)benzoic acid

2-(3-methoxy-3-oxopropyl)benzoic acid

CAS No.:
33779-03-2
Catalog Number:
AG01EAA5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
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Product Description
Catalog Number:
AG01EAA5
Chemical Name:
2-(3-methoxy-3-oxopropyl)benzoic acid
CAS Number:
33779-03-2
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD24479607
IUPAC Name:
2-(3-methoxy-3-oxopropyl)benzoic acid
InChI:
InChI=1S/C11H12O4/c1-15-10(12)7-6-8-4-2-3-5-9(8)11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key:
MNTPADVVQJCTIF-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccccc1C(=O)O
Properties
Complexity:
237  
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:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties