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132864-54-1 | Benzeneacetic acid, 2-(dimethylamino)-
CAS No: 132864-54-1 Catalog No: AG0011AL MDL No:MFCD09924883
Product Description
Catalog Number:
AG0011AL
Chemical Name:
Benzeneacetic acid, 2-(dimethylamino)-
CAS Number:
132864-54-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD09924883
IUPAC Name:
2-[2-(dimethylamino)phenyl]acetic acid
InChI:
InChI=1S/C10H13NO2/c1-11(2)9-6-4-3-5-8(9)7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
DQSBXVQJLSMPKA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1N(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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