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1508892-33-8 | Benzenepropanoic acid, α,3-dihydroxy-, methyl ester
CAS No: 1508892-33-8 Catalog No: AG001MWQ MDL No:MFCD22381395
Product Description
Catalog Number:
AG001MWQ
Chemical Name:
Benzenepropanoic acid, α,3-dihydroxy-, methyl ester
CAS Number:
1508892-33-8
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD22381395
IUPAC Name:
methyl 2-hydroxy-3-(3-hydroxyphenyl)propanoate
InChI:
InChI=1S/C10H12O4/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7/h2-5,9,11-12H,6H2,1H3
InChI Key:
AVQQHMWLBBAQQU-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1cccc(c1)O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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