200,000+ products from a single source!
sales@angenechem.com
189938-05-4 | Butanoic acid, 2-(hydroxymethyl)-3-methyl-, methyl ester, (2S)-
CAS No: 189938-05-4 Catalog No: AG002E52 MDL No:
Product Description
Catalog Number:
AG002E52
Chemical Name:
Butanoic acid, 2-(hydroxymethyl)-3-methyl-, methyl ester, (2S)-
CAS Number:
189938-05-4
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
methyl (2S)-2-(hydroxymethyl)-3-methylbutanoate
InChI:
InChI=1S/C7H14O3/c1-5(2)6(4-8)7(9)10-3/h5-6,8H,4H2,1-3H3/t6-/m1/s1
InChI Key:
GPIVIPTZTRRTFH-ZCFIWIBFSA-N
SMILES:
OC[C@@H](C(=O)OC)C(C)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.