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1821-12-1 | Benzenebutanoic acid
CAS No: 1821-12-1 Catalog No: AG0023DD MDL No:MFCD00004403
Product Description
Catalog Number:
AG0023DD
Chemical Name:
Benzenebutanoic acid
CAS Number:
1821-12-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00004403
IUPAC Name:
4-phenylbutanoic acid
InChI:
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChI Key:
OBKXEAXTFZPCHS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccccc1
EC Number:
217-341-8
UNII:
7WY7YBI87E
NSC Number:
295
Properties
Complexity:
137
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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