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74761-42-5 | MOC-Val-OH
CAS No: 74761-42-5 Catalog No: AG003CK2 MDL No:MFCD12795357
Product Description
Catalog Number:
AG003CK2
Chemical Name:
MOC-Val-OH
CAS Number:
74761-42-5
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
MDL Number:
MFCD12795357
IUPAC Name:
(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1
InChI Key:
CEFVHPDFGLDQKU-YFKPBYRVSA-N
SMILES:
COC(=O)N[C@H](C(=O)O)C(C)C
EC Number:
616-135-9
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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