Home Other Building Blocks 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetic acid

2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetic acid

CAS No.:
1554107-83-3
Catalog Number:
AG01DVN5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
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Product Description
Catalog Number:
AG01DVN5
Chemical Name:
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetic acid
CAS Number:
1554107-83-3
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD31559636
IUPAC Name:
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetic acid
InChI:
InChI=1S/C10H13NO3/c1-6-11-10-7(5-9(12)13)3-2-4-8(10)14-6/h7H,2-5H2,1H3,(H,12,13)
InChI Key:
BEYMWEGJHMFOTQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCc2c1nc(o2)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties