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123802-80-2 | Benzenepropanoic acid, α-(hydroxymethyl)-, (αR)-
CAS No: 123802-80-2 Catalog No: AG000L3L MDL No:MFCD06658933
Product Description
Catalog Number:
AG000L3L
Chemical Name:
Benzenepropanoic acid, α-(hydroxymethyl)-, (αR)-
CAS Number:
123802-80-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06658933
IUPAC Name:
(2R)-2-benzyl-3-hydroxypropanoic acid
InChI:
InChI=1S/C10H12O3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
InChI Key:
RDUHFHDKXQBHMH-SECBINFHSA-N
SMILES:
OC[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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