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23508-35-2 | Benzenepropanoic acid, α,4-dihydroxy-, (αS)-
CAS No: 23508-35-2 Catalog No: AG002NG4 MDL No:MFCD01632461
Product Description
Catalog Number:
AG002NG4
Chemical Name:
Benzenepropanoic acid, α,4-dihydroxy-, (αS)-
CAS Number:
23508-35-2
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD01632461
IUPAC Name:
(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
InChI Key:
JVGVDSSUAVXRDY-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)O)O
UNII:
3X3113D870
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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