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116-53-0 | Butanoic acid, 2-methyl-
CAS No: 116-53-0 Catalog No: AG000BCK MDL No:MFCD00002669
Product Description
Catalog Number:
AG000BCK
Chemical Name:
Butanoic acid, 2-methyl-
CAS Number:
116-53-0
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
MDL Number:
MFCD00002669
IUPAC Name:
2-methylbutanoic acid
InChI:
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:
WLAMNBDJUVNPJU-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CC
NSC Number:
7304
FEMA Number:
2695
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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