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19910-29-3 | Butanoic acid, 2,3,3-trimethyl-
CAS No: 19910-29-3 Catalog No: AG002BX0 MDL No:MFCD00830737
Product Description
Catalog Number:
AG002BX0
Chemical Name:
Butanoic acid, 2,3,3-trimethyl-
CAS Number:
19910-29-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00830737
IUPAC Name:
2,3,3-trimethylbutanoic acid
InChI:
InChI=1S/C7H14O2/c1-5(6(8)9)7(2,3)4/h5H,1-4H3,(H,8,9)
InChI Key:
ILBXYVICWFMUPR-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)C(=O)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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