D-Alanine, 3-[[(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, hydroc...
C13H12N2O6.ClH
2253733-10-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  22 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.0011 4.6200 0.0 0
M  V30 2 N 4.0011 6.1601 0.0 0
M  V30 3 O 2.6673 3.8500 0.0 0
M  V30 4 C 2.6673 6.9301 0.0 0
M  V30 5 C 2.6673 8.4701 0.0 0 CFG=1
M  V30 6 C 1.3337 9.2401 0.0 0
M  V30 7 N 4.0011 9.2401 0.0 0
M  V30 8 O 0.0000 8.4701 0.0 0
M  V30 9 O 1.3337 10.7801 0.0 0
M  V30 10 O 4.0011 1.5400 0.0 0
M  V30 11 O 12.0032 1.5400 0.0 0
M  V30 12 C 8.0021 3.8500 0.0 0
M  V30 13 C 8.0021 2.3100 0.0 0
M  V30 14 C 6.6684 4.6200 0.0 0
M  V30 15 C 9.3359 4.6200 0.0 0
M  V30 16 O 6.6684 1.5400 0.0 0
M  V30 17 C 9.3359 1.5400 0.0 0
M  V30 18 C 5.3348 3.8500 0.0 0
M  V30 19 C 10.6695 3.8500 0.0 0
M  V30 20 C 5.3348 2.3100 0.0 0
M  V30 21 C 10.6695 2.3100 0.0 0
M  V30 22 Cl 6.0016 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 18
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 5 7 CFG=3
M  V30 8 1 6 8
M  V30 9 2 6 9
M  V30 10 2 10 20
M  V30 11 1 11 21
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 2 13 17
M  V30 17 2 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2253733-10-5

> <cas.index.name>
D-Alanine, 3-[[(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, hydrochloride (1:1)

> <molecular.formula>
C13H12N2O6.ClH

> <molecular.weight>
328.71

$$$$
