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23434-37-9 | Heptanoic acid, 7-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 23434-37-9 Catalog No: AG002N7R MDL No:MFCD09930580
Product Description
Catalog Number:
AG002N7R
Chemical Name:
Heptanoic acid, 7-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
23434-37-9
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD09930580
IUPAC Name:
7-(phenylmethoxycarbonylamino)heptanoic acid
InChI:
InChI=1S/C15H21NO4/c17-14(18)10-6-1-2-7-11-16-15(19)20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,19)(H,17,18)
InChI Key:
XBVBOABWPAYAFH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCNC(=O)OCc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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