Home Other Building Blocks 10276-09-2
10276-09-2,MFCD00196967
Catalog No.:AA00088I
10276-09-2 | 2,2-Dimethylbut-3-enoic acid
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1g
95%
in stock  
$115.00   $80.00
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5g
95%
in stock  
$355.00   $248.00
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Technical Information
Catalog Number:
AA00088I
Chemical Name:
2,2-Dimethylbut-3-enoic acid
CAS Number:
10276-09-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00196967
IUPAC Name:
2,2-dimethylbut-3-enoic acid
InChI:
InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)
InChI Key:
SCFWAOWWAANBPY-UHFFFAOYSA-N
SMILES:
C=CC(C(=O)O)(C)C
Properties
Computed Properties
 
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2,2-dimethylbut-3-enoic acid 
10276-09-2 
CH2=CHC(CH3)2COOH 
3-Butenoic acid,2,2-dimethyl- 
CTK4A1456 
KS-00000OLT 
DTXSID70145492 
ZINC4566189 
0670AA 
ANW-68287 
AKOS006380127 
ACN-034779 
3-Butenoic acid, 2,2-dimethyl- 
CS-W006345 
DS-2557 
AJ-51682 
QC-10842 
SC-72463 
ST2403570 
TX-016115 
4CH-017630 
Z-6049 
C6H10O2 
2,2-DIMETHYL-BUT-3-ENOIC ACID 
CID139122 
FA(6:1) 
C2093 
2,2-Dimethyl-3-butenoic acid 
SCFWAOWWAANBPY-UHFFFAOYSA-N 
MFCD00196967 
LMFA01020099 
AC1L3EBB 
SCHEMBL65091 
Literature
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