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307002-00-2 | 1,3-Dioxolan-4-ol, 2-[(phenylmethoxy)methyl]-, 4-acetate, (2R)-
CAS No: 307002-00-2 Catalog No: AG00310T MDL No:
Product Description
Catalog Number:
AG00310T
Chemical Name:
1,3-Dioxolan-4-ol, 2-[(phenylmethoxy)methyl]-, 4-acetate, (2R)-
CAS Number:
307002-00-2
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
acetic acid;(2R)-2-(phenylmethoxymethyl)-1,3-dioxolan-4-ol
InChI:
InChI=1S/C11H14O4.C2H4O2/c12-10-7-14-11(15-10)8-13-6-9-4-2-1-3-5-9;1-2(3)4/h1-5,10-12H,6-8H2;1H3,(H,3,4)/t10?,11-;/m1./s1
InChI Key:
GCTYFEPURZCYKP-PSDUUTOMSA-N
SMILES:
CC(=O)OC1CO[C@H](O1)COCc1ccccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
270.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.281g/mol
Monoisotopic Mass:
270.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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