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25173-75-5 | Benzenepropanoic acid, 2,5-dimethyl-
CAS No: 25173-75-5 Catalog No: AG002QQQ MDL No:MFCD06823972
Product Description
Catalog Number:
AG002QQQ
Chemical Name:
Benzenepropanoic acid, 2,5-dimethyl-
CAS Number:
25173-75-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD06823972
IUPAC Name:
3-(2,5-dimethylphenyl)propanoic acid
InChI:
InChI=1S/C11H14O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChI Key:
YJUKGBIRIXQUJY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CCC(=O)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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