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1016817-12-1 | Benzoic acid, 2-[(cyclopropylcarbonyl)amino]-5-methyl-
CAS No: 1016817-12-1 Catalog No: AG00056O MDL No:MFCD09937124
Product Description
Catalog Number:
AG00056O
Chemical Name:
Benzoic acid, 2-[(cyclopropylcarbonyl)amino]-5-methyl-
CAS Number:
1016817-12-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD09937124
IUPAC Name:
2-(cyclopropanecarbonylamino)-5-methylbenzoic acid
InChI:
InChI=1S/C12H13NO3/c1-7-2-5-10(9(6-7)12(15)16)13-11(14)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
DEVSZENVCXUDDE-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)NC(=O)C1CC1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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