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123295-57-8 | Butanedioic acid, 2,3-bis(phenylmethyl)-, (2R,3R)-
CAS No: 123295-57-8 Catalog No: AG000KA0 MDL No:
Product Description
Catalog Number:
AG000KA0
Chemical Name:
Butanedioic acid, 2,3-bis(phenylmethyl)-, (2R,3R)-
CAS Number:
123295-57-8
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
(2R,3R)-2,3-dibenzylbutanedioic acid
InChI:
InChI=1S/C18H18O4/c19-17(20)15(11-13-7-3-1-4-8-13)16(18(21)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
InChI Key:
UUTKSMWBUAJELT-HZPDHXFCSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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