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1505-50-6 | Benzenepropanoic acid, 4-methyl-
CAS No: 1505-50-6 Catalog No: AG001MNT MDL No:MFCD00016561
Product Description
Catalog Number:
AG001MNT
Chemical Name:
Benzenepropanoic acid, 4-methyl-
CAS Number:
1505-50-6
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00016561
IUPAC Name:
3-(4-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:
LDYGRLNSOKABMM-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)C
EC Number:
216-132-9
NSC Number:
512
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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