200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 770-88-7
770-88-7 | 1,3-Butanediol, 3-phenyl-, (S)-
CAS No: 770-88-7 Catalog No: AG005EFD MDL No:
Product Description
Catalog Number:
AG005EFD
Chemical Name:
1,3-Butanediol, 3-phenyl-, (S)-
CAS Number:
770-88-7
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
(3S)-3-phenylbutane-1,3-diol
InChI:
InChI=1S/C10H14O2/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3/t10-/m0/s1
InChI Key:
BQNJVHGCZBNKBG-JTQLQIEISA-N
SMILES:
OCC[C@@](c1ccccc1)(O)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.