Home Carboxes 1010-48-6
1010-48-6,MFCD00020492
Catalog No.:AA0003DQ
1010-48-6 | 3-Methyl-3-phenylbutanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$129.00   $90.00
- +
1g
95%
in stock  
$294.00   $206.00
- +
5g
95%
in stock  
$945.00   $662.00
- +
10g
98%
in stock  
$1,715.00   $1,200.00
- +
25g
98%
in stock  
$3,810.00   $2,667.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0003DQ
Chemical Name:
3-Methyl-3-phenylbutanoic acid
CAS Number:
1010-48-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00020492
IUPAC Name:
3-methyl-3-phenylbutanoic acid
InChI:
InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
InChI Key:
JTZZMXVIHNHASS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)(C)C
UNII:
SY9Z3KBQ5R
Properties
Computed Properties
 
Complexity:
179  
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:
2.6  

Synonyms
 
3-Methyl-3-phenylbutanoic acid 
1010-48-6 
beta,beta-Dimethylbenzenepropanoic acid 
NSC 200697 
NSC 408029 
BRN 2088152 
.beta.-Phenylisovaleric acid 
3-methyl-3-phenylbutyric acid 
AI3-19952 
JTZZMXVIHNHASS-UHFFFAOYSA-N 
Benzenepropanoic acid, beta,beta-dimethyl- (9CI) 
Hydrocinnamic acid, beta,beta-dimethyl- 
3-Phenylisopentanoic acid 
Hydrocinnamic acid,.beta.-dimethyl- 
MFCD00020492 
Benzenepropanoic acid,.beta.-dimethyl- 
3-phenyl-isovaleric acid 
Hydrocinnamic acid, .beta.,.beta.-dimethyl- 
AC1L22PB 
AC1Q1NJ7 
Benzenepropanoic acid, .beta.,.beta.-dimethyl- 
SCHEMBL57411 
4-09-00-01874 (Beilstein Handbook Reference) 
3-Methyl-3-phenyl-butanoic acid 
3-Methyl-3-phenyl-butyric acid 
3-methyl-3- phenylbutanoic acid 
3-methyl-3-phenyl butanoic acid 
DTXSID40143622 
NSC1046 
3-Methyl-3-phenylbutanoic acid # 
ZINC393261 
ALBB-028119 
NSC-1046 
NSC200697 
beta-Phenylisovaleric acid 
NSC408029 
STL480834 
3,3-dimethyl-3-phenyl propionic acid 
AKOS000320083 
CM-1017 
MCULE-9200646630 
NSC-200697 
NSC-408029 
.beta.,.beta.-Dimethylhydrocinnamic acid 
AC-22542 
Benzenepropanoic acid, beta,beta-dimethyl- 
AJ-21272 
BS-13847 
LS-77178 
AB0091205 
TL8000079 
FT-0649709 
EN300-52445 
W-6245 
AE-562/40987648 
F9994-0612 
beta,beta-Dimethylhydrocinnamic acid 
3-methyl-3-phenylbutyricacid 
CID13890 
C11-H14-O2 
3-methyl-3-phenylbutanoic acid, 95% - 1G 1g 
1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Hydrochloride 
NSC 1046 
UNII-SY9Z3KBQ5R 
SY9Z3KBQ5R 
Literature
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