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779-47-5 | Benzoic acid,4-[[(1-methylethyl)amino]carbonyl]-
CAS No: 779-47-5 Catalog No: AG005E9U MDL No:MFCD01682706
Product Description
Catalog Number:
AG005E9U
Chemical Name:
Benzoic acid,4-[[(1-methylethyl)amino]carbonyl]-
CAS Number:
779-47-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD01682706
IUPAC Name:
4-(propan-2-ylcarbamoyl)benzoic acid
InChI:
InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChI Key:
PRCGIFCKPACTDG-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1ccc(cc1)C(=O)O)C
UNII:
W6LXS5VI5Z
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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