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1005154-25-5 | Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(2-propen-1-ylamino)carbonyl]-
CAS No: 1005154-25-5 Catalog No: AG00027D MDL No:MFCD09834081
Product Description
Catalog Number:
AG00027D
Chemical Name:
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(2-propen-1-ylamino)carbonyl]-
CAS Number:
1005154-25-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD09834081
IUPAC Name:
3-(prop-2-enylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C12H17NO3/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12(15)16/h2,7-10H,1,3-6H2,(H,13,14)(H,15,16)
InChI Key:
HAMXQRSEDGZKRF-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)C1C2CCC(C1C(=O)O)C2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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