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145679-19-2 | Benzeneacetic acid, 4-carboxy-α-methyl-, (R)- (9CI)
CAS No: 145679-19-2 Catalog No: AG001DAL MDL No:
Product Description
Catalog Number:
AG001DAL
Chemical Name:
Benzeneacetic acid, 4-carboxy-α-methyl-, (R)- (9CI)
CAS Number:
145679-19-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
4-[(1R)-1-carboxyethyl]benzoic acid
InChI:
InChI=1S/C10H10O4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)/t6-/m1/s1
InChI Key:
ZHJJCJKDNFTHKD-ZCFIWIBFSA-N
SMILES:
C[C@H](c1ccc(cc1)C(=O)O)C(=O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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