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78606-96-9 | Propanedioic acid,2-[(2-methylphenyl)methyl]-
CAS No: 78606-96-9 Catalog No: AG00527J MDL No:MFCD00209987
Product Description
Catalog Number:
AG00527J
Chemical Name:
Propanedioic acid,2-[(2-methylphenyl)methyl]-
CAS Number:
78606-96-9
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD00209987
IUPAC Name:
2-[(2-methylphenyl)methyl]propanedioic acid
InChI:
InChI=1S/C11H12O4/c1-7-4-2-3-5-8(7)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChI Key:
YVWCGEMMBLBBOC-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)Cc1ccccc1C
Properties
Complexity:
235
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:
2
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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