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1799412-34-2 | Benzoic acid, 3-[(1R)-1-carboxypropoxy]-
CAS No: 1799412-34-2 Catalog No: AG0021GN MDL No:MFCD27991326
Product Description
Catalog Number:
AG0021GN
Chemical Name:
Benzoic acid, 3-[(1R)-1-carboxypropoxy]-
CAS Number:
1799412-34-2
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD27991326
IUPAC Name:
3-[(1R)-1-carboxypropoxy]benzoic acid
InChI:
InChI=1S/C11H12O5/c1-2-9(11(14)15)16-8-5-3-4-7(6-8)10(12)13/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChI Key:
CKIVNPJBBIDRHO-SECBINFHSA-N
SMILES:
CC[C@H](C(=O)O)Oc1cccc(c1)C(=O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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