200,000+ products from a single source!
sales@angenechem.com
13332-31-5 | Butanoic acid, 2,3,3-trimethyl-, (2S)-
CAS No: 13332-31-5 Catalog No: AG0014MH MDL No:
Product Description
Catalog Number:
AG0014MH
Chemical Name:
Butanoic acid, 2,3,3-trimethyl-, (2S)-
CAS Number:
13332-31-5
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
(2S)-2,3,3-trimethylbutanoic acid
InChI:
InChI=1S/C7H14O2/c1-5(6(8)9)7(2,3)4/h5H,1-4H3,(H,8,9)/t5-/m1/s1
InChI Key:
ILBXYVICWFMUPR-RXMQYKEDSA-N
SMILES:
C[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.