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123359-32-0 | Benzenepropanoic acid, α,4-dihydroxy-, methyl ester, (αR)-
CAS No: 123359-32-0 Catalog No: AG000KFS MDL No:
Product Description
Catalog Number:
AG000KFS
Chemical Name:
Benzenepropanoic acid, α,4-dihydroxy-, methyl ester, (αR)-
CAS Number:
123359-32-0
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
methyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C10H12O4/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChI Key:
PDFUCDWETSQSSU-SECBINFHSA-N
SMILES:
COC(=O)[C@@H](Cc1ccc(cc1)O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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