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85418-23-1 | (S)-4-Benzyloxy-1,3-butanediol , 96%
CAS No: 85418-23-1 Catalog No: AG003CMG MDL No:
Product Description
Catalog Number:
AG003CMG
Chemical Name:
(S)-4-Benzyloxy-1,3-butanediol , 96%
CAS Number:
85418-23-1
IUPAC Name:
(3S)-4-phenylmethoxybutane-1,3-diol
InChI:
InChI=1S/C11H16O3/c12-7-6-11(13)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-/m0/s1
InChI Key:
ZVVBUAFZGGHYAO-NSHDSACASA-N
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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